data_1lir_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 1lir _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 105.926 -1.879 . . . . 1.0 105.926 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 54.1 p -103.98 149.9 24.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 119.507 3.151 . . . . 1.0 119.507 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 p -131.43 170.27 14.9 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 112.532 -2.122 . . . . 1.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.3 m -118.92 -43.97 2.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 110.84 -2.891 . . . . 1.0 103.227 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.46 169.25 18.12 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.656 -1.611 . . . . 1.0 111.432 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -72.71 -46.41 53.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 104.483 -2.414 . . . . 1.0 104.483 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.435 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -50.61 -32.78 19.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 111.786 -2.461 . . . . 1.0 110.127 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -85.12 -38.91 18.51 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.157 -1.838 . . . . 1.0 108.2 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -55.64 -27.14 48.15 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 124.369 1.043 . . . . 1.0 109.219 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.435 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.9 m0 -60.48 -48.73 80.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.238 0.961 . . . . 1.0 109.304 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -54.44 -44.47 72.52 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.226 -1.352 . . . . 1.0 108.954 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -63.96 -39.67 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 113.39 -1.732 . . . . 1.0 108.559 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.494 ' SG ' ' HA3' ' A' ' 26' ' ' GLY . 71.7 m -68.31 -27.77 66.58 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.236 0.96 . . . . 1.0 111.801 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -69.91 -35.59 74.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.808 -1.182 . . . . 1.0 107.808 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -98.6 14.31 28.9 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.845 0.831 . . . . 1.0 111.695 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -113.97 -71.84 0.73 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.034 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -131.68 50.47 2.23 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 112.966 -1.925 . . . . 1.0 109.507 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 24.78 52.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 115.654 1.724 . . . . 1.0 115.654 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -129.92 165.0 22.98 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 113.473 -1.694 . . . . 1.0 112.117 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -125.71 14.07 8.06 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.09 -1.868 . . . . 1.0 107.544 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.3 mpt_? -111.13 70.23 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.902 -1.499 . . . . 1.0 110.467 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.494 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -122.66 157.43 17.26 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 112.628 -2.078 . . . . 1.0 110.469 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 26' ' ' GLY . 1.3 mppt? -128.36 145.57 51.03 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 112.992 -1.604 . . . . 1.0 108.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -103.97 121.75 43.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 124.267 0.98 . . . . 1.0 109.122 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 ptm -133.35 133.17 42.15 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 106.948 -1.501 . . . . 1.0 106.948 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 34.63 64.88 0.38 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 124.853 1.345 . . . . 1.0 108.255 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 33.55 46.3 0.12 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.072 -2.331 . . . . 1.0 113.853 -179.442 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 52.5 mtpt -138.41 150.11 46.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 112.205 -2.27 . . . . 1.0 106.228 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.6 138.11 45.45 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.449 1.277 . . . . 1.0 114.449 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.53 133.84 55.35 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.297 -2.112 . . . . 1.0 105.297 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 113.233 0.827 . . . . 1.0 113.233 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 107.903 -1.147 . . . . 1.0 107.903 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -102.91 162.24 13.09 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.967 -1.015 . . . . 1.0 113.022 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -140.35 169.36 17.82 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 112.904 -1.953 . . . . 1.0 110.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -120.47 -44.91 2.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 103.045 -2.946 . . . . 1.0 103.045 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.54 169.44 17.69 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 113.312 -1.767 . . . . 1.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -71.17 -44.21 65.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 104.702 -2.333 . . . . 1.0 104.702 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.6 t-20 -51.79 -32.49 31.46 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 112.161 -2.291 . . . . 1.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -86.42 -36.33 19.19 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.331 -1.759 . . . . 1.0 108.659 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.23 -31.41 65.49 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 124.217 0.948 . . . . 1.0 109.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.422 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 46.3 m0 -54.64 -44.2 72.99 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.765 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.86 -45.75 89.39 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 113.632 -1.622 . . . . 1.0 110.356 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.53 -47.36 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 107.737 -1.209 . . . . 1.0 107.737 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.38 -27.91 68.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 114.9 -1.046 . . . . 1.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 25.8 ttpp -74.05 -29.5 61.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.733 0.645 . . . . 1.0 111.1 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.467 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.5 ptp180 -99.65 -8.89 23.8 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 123.605 0.566 . . . . 1.0 110.807 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.76 -67.53 0.99 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 124.092 0.87 . . . . 1.0 110.106 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -103.96 35.06 2.78 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.078 -1.419 . . . . 1.0 112.265 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 25.85 43.33 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.664 2.098 . . . . 1.0 116.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.5 p -136.94 167.97 20.47 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 114.93 -1.032 . . . . 1.0 112.356 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.54 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 13.5 t-20 -122.53 21.79 10.09 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 114.033 -1.44 . . . . 1.0 108.203 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.54 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.39 72.96 0.81 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.063 -1.88 . . . . 1.0 108.304 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.96 165.25 16.89 Favored Glycine 0 N--CA 1.483 1.792 0 CA-C-N 113.635 -1.621 . . . . 1.0 112.96 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -138.05 138.89 39.25 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 112.911 -1.645 . . . . 1.0 108.72 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.3 t -103.15 121.5 42.77 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.5 mtp -132.42 133.74 44.27 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.147 -1.427 . . . . 1.0 107.147 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 33.65 66.12 0.25 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 124.993 1.433 . . . . 1.0 108.531 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.03 46.2 0.06 Allowed 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 111.795 -2.457 . . . . 1.0 113.976 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -135.54 145.12 46.7 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 103.987 -2.597 . . . . 1.0 103.987 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.4 t -106.19 140.65 38.81 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 115.427 1.64 . . . . 1.0 115.427 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.1 tpt180 -121.06 149.05 43.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 112.274 -2.239 . . . . 1.0 108.623 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.4 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 18.8 m . . . . . 0 C--N 1.306 -1.293 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 105.211 -2.144 . . . . 1.0 105.211 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -105.01 157.66 17.08 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 p -143.29 171.52 14.0 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 111.986 -2.37 . . . . 1.0 110.552 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -117.2 -41.74 2.97 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.195 -2.73 . . . . 1.0 103.78 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.56 171.32 14.67 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.631 -1.622 . . . . 1.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -77.1 -46.85 22.15 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 104.155 -2.535 . . . . 1.0 104.155 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -50.35 -30.41 12.12 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 112.144 -2.298 . . . . 1.0 110.294 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -91.33 -37.8 13.02 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.854 -1.976 . . . . 1.0 108.336 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.53 -29.52 37.11 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 124.37 1.044 . . . . 1.0 109.247 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -58.52 -49.5 77.15 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.256 -1.338 . . . . 1.0 108.421 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.08 -45.85 83.0 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 113.86 -1.518 . . . . 1.0 109.482 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.77 -36.99 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.693 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.6 m -81.08 -18.2 47.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.115 -0.634 . . . . 1.0 109.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -81.27 -23.85 37.68 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.664 -0.865 . . . . 1.0 108.664 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -102.06 -7.19 22.52 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.841 0.713 . . . . 1.0 109.449 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -110.51 -72.27 0.73 Allowed 'General case' 0 N--CA 1.503 2.198 0 CA-C-N 115.132 -0.94 . . . . 1.0 109.719 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -108.45 42.07 1.46 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.58 -1.191 . . . . 1.0 111.093 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 16.51 58.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.343 1.979 . . . . 1.0 116.343 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -140.44 161.85 36.72 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 112.288 -2.233 . . . . 1.0 108.559 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -120.35 18.72 12.18 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.923 0.868 . . . . 1.0 108.669 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.6 mpt_? -114.79 78.25 1.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.343 -1.753 . . . . 1.0 110.281 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.72 166.95 21.72 Favored Glycine 0 N--CA 1.483 1.83 0 CA-C-N 114.327 -1.306 . . . . 1.0 111.662 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -134.67 139.97 45.67 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 114.05 -1.075 . . . . 1.0 108.903 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.8 t -105.47 154.39 20.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 112.625 0.602 . . . . 1.0 112.625 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 ptm -177.03 143.83 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.75 1.282 . . . . 1.0 108.621 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 35.31 65.89 0.36 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 124.709 1.256 . . . . 1.0 109.355 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.85 44.11 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 112.739 -2.028 . . . . 1.0 113.315 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -140.0 145.51 37.89 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 111.537 -2.574 . . . . 1.0 106.042 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -112.87 151.68 30.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.835 0.826 . . . . 1.0 111.856 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.98 146.62 47.46 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.007 -1.906 . . . . 1.0 106.953 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.0 m . . . . . 0 C--N 1.307 -1.278 0 O-C-N 124.018 0.824 . . . . 1.0 109.426 179.839 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 107.289 -1.375 . . . . 1.0 107.289 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m -104.39 159.05 16.04 Favored 'General case' 0 C--N 1.309 -1.172 0 O-C-N 124.206 0.942 . . . . 1.0 112.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 27.8 p -142.58 170.21 16.13 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.393 -1.73 . . . . 1.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 m -119.69 -44.83 2.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 103.032 -2.951 . . . . 1.0 103.032 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.72 17.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.368 -1.742 . . . . 1.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.4 t -72.76 -44.72 61.26 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -52.21 -31.99 34.49 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 112.108 -2.315 . . . . 1.0 110.057 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -85.94 -37.95 18.5 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 113.255 -1.793 . . . . 1.0 108.381 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 t -56.0 -30.0 61.17 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 124.346 1.029 . . . . 1.0 108.953 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.0 m0 -58.37 -47.41 83.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 124.293 0.996 . . . . 1.0 109.106 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -57.7 -46.05 84.88 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 113.953 -1.476 . . . . 1.0 109.606 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.48 -42.17 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-N 114.408 -1.269 . . . . 1.0 108.68 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.1 m -72.94 -24.38 60.79 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 25.3 ttpp -74.56 -29.23 61.27 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 123.886 0.741 . . . . 1.0 109.144 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.443 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.5 ptp180 -99.62 -6.1 27.88 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.623 0.577 . . . . 1.0 110.675 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -110.91 -71.3 0.77 Allowed 'General case' 0 N--CA 1.504 2.269 0 O-C-N 124.232 0.957 . . . . 1.0 109.327 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -107.3 38.28 2.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.596 1.185 . . . . 1.0 113.254 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.451 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 0.2 OUTLIER 25.95 45.42 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 125.913 1.685 . . . . 1.0 114.86 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -134.98 163.4 29.95 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.586 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -121.83 20.64 10.86 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 114.573 -1.194 . . . . 1.0 108.621 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -113.15 72.67 0.78 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 113.372 -1.74 . . . . 1.0 109.44 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.58 163.95 23.13 Favored Glycine 0 N--CA 1.481 1.68 0 CA-C-N 113.991 -1.458 . . . . 1.0 112.538 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -131.39 146.68 52.38 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 113.81 -1.195 . . . . 1.0 111.276 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.82 126.5 51.96 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.909 0.756 . . . . 1.0 111.316 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.9 ptm -141.23 136.36 31.61 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.883 -1.525 . . . . 1.0 106.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.26 63.3 0.43 Allowed 'General case' 0 N--CA 1.507 2.423 0 O-C-N 124.576 1.173 . . . . 1.0 109.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 33.08 46.45 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 112.102 -2.317 . . . . 1.0 113.563 -179.412 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 94.5 mttt -136.9 148.78 47.24 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 111.807 -2.451 . . . . 1.0 105.293 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.74 151.06 24.92 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 122.274 1.035 . . . . 1.0 113.075 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.22 140.45 53.01 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 104.488 -2.412 . . . . 1.0 104.488 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 108.691 -0.855 . . . . 1.0 108.691 179.676 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 104.582 -2.377 . . . . 1.0 104.582 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.501 ' HG ' ' H ' ' A' ' 7' ' ' CYS . 36.9 t -101.83 158.82 15.85 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 122.619 1.199 . . . . 1.0 112.499 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.501 ' H ' ' HG ' ' A' ' 6' ' ' SER . 24.9 p -137.0 168.81 18.88 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 111.655 -2.521 . . . . 1.0 109.927 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -115.42 -45.09 2.94 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 102.492 -3.151 . . . . 1.0 102.492 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.76 168.98 19.44 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.217 -1.811 . . . . 1.0 109.598 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -57.81 -44.67 86.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.473 -1.677 . . . . 1.0 106.473 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -46.05 -34.91 4.43 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 111.579 -2.555 . . . . 1.0 112.607 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -92.06 -32.87 15.01 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 113.732 -1.577 . . . . 1.0 109.803 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 27.1 t -58.6 -32.39 68.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 124.103 0.877 . . . . 1.0 109.525 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.08 -46.12 71.95 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 114.196 -1.366 . . . . 1.0 109.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.0 -42.76 80.89 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 113.341 -1.754 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.74 -50.92 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.5 m -61.77 -25.26 67.36 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 123.836 0.71 . . . . 1.0 111.242 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 25.2 ttpp -76.0 -32.46 59.43 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 124.099 0.874 . . . . 1.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.439 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.3 ptp180 -98.16 -1.3 42.51 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 120.425 -0.51 . . . . 1.0 111.277 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -111.93 -68.65 0.92 Allowed 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.767 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -117.72 46.7 1.69 Allowed 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 114.285 -1.325 . . . . 1.0 112.114 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.5 t30 19.49 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 p -132.79 161.56 33.77 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.59 -1.641 . . . . 1.0 110.299 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -122.77 1.59 9.39 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 114.512 -1.222 . . . . 1.0 109.981 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -105.04 74.72 1.13 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 122.292 1.044 . . . . 1.0 111.606 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.96 172.3 19.08 Favored Glycine 0 N--CA 1.481 1.696 0 CA-C-N 113.157 -1.838 . . . . 1.0 109.076 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -134.79 157.39 46.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 124.156 0.562 . . . . 1.0 110.728 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.08 145.57 29.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 124.004 0.815 . . . . 1.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ptm -157.2 135.02 10.84 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 114.509 -1.223 . . . . 1.0 108.592 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 25.15 70.53 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 CA-C-O 124.031 1.872 . . . . 1.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 34.11 47.23 0.18 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.131 -3.668 . . . . 1.0 114.593 -179.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' CB ' ' HZ1' ' A' ' 32' ' ' LYS . 9.2 mtmp? -144.51 148.47 34.53 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 111.508 -2.587 . . . . 1.0 106.364 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.5 t -106.08 149.16 26.99 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.388 0.884 . . . . 1.0 113.388 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.76 151.6 50.17 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.603 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 107.929 -1.138 . . . . 1.0 107.929 179.627 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 104.764 -2.31 . . . . 1.0 104.764 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -106.86 162.6 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 114.534 1.309 . . . . 1.0 114.534 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 p -138.96 175.01 9.91 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 112.149 -2.296 . . . . 1.0 110.618 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.7 m -123.46 -46.98 2.0 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 101.418 -3.549 . . . . 1.0 101.418 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.01 170.6 15.75 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 112.946 -1.934 . . . . 1.0 109.603 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -75.64 -46.19 32.97 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 104.838 -2.282 . . . . 1.0 104.838 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -52.68 -33.26 46.58 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 111.925 -2.398 . . . . 1.0 109.273 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -83.38 -39.06 21.15 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.178 -1.828 . . . . 1.0 107.947 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.7 t -54.5 -29.7 51.06 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 124.295 0.997 . . . . 1.0 109.418 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -57.45 -49.82 75.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 124.408 1.067 . . . . 1.0 108.772 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -58.01 -46.31 85.47 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.291 -1.777 . . . . 1.0 109.791 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.59 -40.32 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-N 114.515 -1.221 . . . . 1.0 108.977 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.15 -26.09 61.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 124.011 0.819 . . . . 1.0 110.77 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -75.51 -30.52 59.85 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.078 -0.965 . . . . 1.0 110.128 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -100.88 13.04 36.37 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.101 0.953 . . . . 1.0 110.557 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -113.76 -71.99 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 112.863 -1.971 . . . . 1.0 108.815 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -130.49 51.61 2.1 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.954 -1.93 . . . . 1.0 110.268 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 26.44 52.28 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 115.45 1.648 . . . . 1.0 115.45 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -126.58 158.62 35.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.954 -1.475 . . . . 1.0 111.481 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.83 10.54 4.68 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.125 -0.943 . . . . 1.0 112.03 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.483 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 1.1 mpt_? -110.94 67.16 0.64 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.87 0.843 . . . . 1.0 111.86 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.51 167.06 17.98 Favored Glycine 0 N--CA 1.483 1.817 0 CA-C-N 113.6 -1.636 . . . . 1.0 111.869 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -136.82 164.08 29.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.029 -1.1 . . . . 1.0 108.029 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -100.69 126.7 47.24 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 47.5 mtp -124.15 107.67 11.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.549 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 42.41 57.45 3.39 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 122.899 1.333 . . . . 1.0 110.355 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.25 31.54 20.24 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.965 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.91 110.74 11.0 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 106.631 -1.618 . . . . 1.0 106.631 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.43 134.26 52.14 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 119.534 -0.867 . . . . 1.0 108.928 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 132.09 54.78 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 105.141 -2.17 . . . . 1.0 105.141 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 105.357 -2.09 . . . . 1.0 105.357 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 108.426 -0.953 . . . . 1.0 108.426 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -105.24 158.37 16.65 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 124.223 0.952 . . . . 1.0 113.495 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 170.37 15.83 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 113.121 -1.854 . . . . 1.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.0 m -119.83 -45.0 2.5 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 102.954 -2.98 . . . . 1.0 102.954 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.09 169.37 17.92 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 113.332 -1.758 . . . . 1.0 110.599 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -45.45 65.4 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 104.033 -2.58 . . . . 1.0 104.033 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -48.37 -31.97 6.89 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 111.92 -2.4 . . . . 1.0 111.131 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.69 -37.15 14.79 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 112.869 -1.969 . . . . 1.0 108.882 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -55.34 -29.8 59.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 124.308 1.005 . . . . 1.0 109.052 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -59.58 -48.64 80.88 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 114.29 -1.323 . . . . 1.0 108.706 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -54.6 -43.83 72.51 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.057 -1.429 . . . . 1.0 109.473 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.36 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-N 114.239 -1.346 . . . . 1.0 108.325 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.93 -20.44 63.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 124.09 0.869 . . . . 1.0 111.528 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.49 -29.38 37.37 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 124.143 0.902 . . . . 1.0 109.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -99.91 2.63 43.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 123.746 0.654 . . . . 1.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mp -111.59 -69.85 0.84 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 113.98 -1.464 . . . . 1.0 108.65 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -126.87 55.47 1.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 113.472 -1.695 . . . . 1.0 112.042 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 17.72 50.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 118.422 2.749 . . . . 1.0 118.422 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -129.56 159.61 35.81 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 113.68 -1.6 . . . . 1.0 111.435 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -123.19 16.5 9.89 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 113.715 -1.584 . . . . 1.0 108.343 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.5 mpt_? -112.98 74.01 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.771 -1.559 . . . . 1.0 110.468 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.33 168.04 20.34 Favored Glycine 0 N--CA 1.482 1.71 0 CA-C-N 113.634 -1.621 . . . . 1.0 111.613 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -133.71 144.84 49.38 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 114.201 -1.0 . . . . 1.0 111.081 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -104.16 122.0 44.43 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 123.955 0.785 . . . . 1.0 110.995 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.7 mtm -133.48 130.43 38.57 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 106.388 -1.708 . . . . 1.0 106.388 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.7 t30 34.1 66.25 0.27 Allowed 'General case' 0 N--CA 1.505 2.285 0 O-C-N 124.829 1.331 . . . . 1.0 109.392 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 35.69 43.49 0.17 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 111.505 -2.589 . . . . 1.0 114.595 -179.603 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -134.63 147.61 50.21 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 104.552 -2.388 . . . . 1.0 104.552 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.19 152.95 22.81 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.026 1.121 . . . . 1.0 114.026 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.2 147.41 50.57 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 113.143 -1.844 . . . . 1.0 107.406 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 108.564 -0.902 . . . . 1.0 108.564 179.627 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -101.44 163.64 12.17 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.797 -1.092 . . . . 1.0 112.681 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.1 p -137.83 168.27 20.03 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.33 -1.759 . . . . 1.0 110.799 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -121.04 -48.03 2.25 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 102.302 -3.221 . . . . 1.0 102.302 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.46 166.06 26.75 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.03 -1.896 . . . . 1.0 108.54 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.6 t -58.38 -44.46 88.9 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 106.384 -1.71 . . . . 1.0 106.384 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.406 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.2 t-20 -49.07 -38.76 25.27 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 111.643 -2.526 . . . . 1.0 111.491 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.35 -32.57 26.17 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.189 -1.369 . . . . 1.0 109.907 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.12 -34.48 72.09 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.409 -0.96 . . . . 1.0 108.409 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 30.2 m0 -55.63 -41.43 73.53 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.743 -1.117 . . . . 1.0 109.946 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -57.63 -43.13 84.6 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.203 -1.362 . . . . 1.0 110.107 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -63.64 -53.47 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 106.225 -1.769 . . . . 1.0 106.225 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.1 m -50.66 -33.97 24.64 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.866 -1.061 . . . . 1.0 111.265 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmpt? -74.68 -35.68 62.78 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.619 -1.628 . . . . 1.0 111.825 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -97.29 3.77 51.12 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.127 0.489 . . . . 1.0 111.807 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -111.25 -65.06 1.21 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 114.377 -1.283 . . . . 1.0 108.326 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -131.91 52.91 2.03 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.992 -1.458 . . . . 1.0 111.869 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 18.87 55.15 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.411 2.004 . . . . 1.0 116.411 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -129.03 163.19 25.93 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.201 -1.818 . . . . 1.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.477 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 16.1 t30 -129.94 13.02 5.76 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.534 -1.212 . . . . 1.0 110.181 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.477 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.19 72.79 0.95 Allowed 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.177 -1.374 . . . . 1.0 111.083 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.79 166.52 22.53 Favored Glycine 0 N--CA 1.484 1.85 0 CA-C-N 115.121 -0.945 . . . . 1.0 112.886 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -133.37 155.22 49.86 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 114.112 -1.044 . . . . 1.0 110.575 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -106.83 116.82 32.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 124.696 1.248 . . . . 1.0 111.158 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.7 mtm -132.21 126.4 33.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 124.148 0.905 . . . . 1.0 108.572 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 39.91 59.27 1.96 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 122.577 1.18 . . . . 1.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt 46.0 37.75 4.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 112.232 -2.258 . . . . 1.0 114.053 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.77 153.94 50.74 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.764 -1.939 . . . . 1.0 105.764 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.0 t -110.73 145.27 38.36 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.786 -0.766 . . . . 1.0 112.684 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -125.47 131.88 52.78 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.857 -2.275 . . . . 1.0 104.857 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 64.1 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.182 0.515 . . . . 1.0 111.349 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.426 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 67.2 m -98.41 163.22 12.78 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 112.069 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.0 p -139.19 168.89 18.82 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.766 -1.561 . . . . 1.0 111.225 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -119.48 -47.81 2.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.318 -3.215 . . . . 1.0 102.318 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.54 168.92 20.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.002 -1.908 . . . . 1.0 109.327 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -57.91 -43.19 86.05 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 106.922 -1.51 . . . . 1.0 106.922 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 24.1 t-20 -49.23 -39.23 29.25 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 111.928 -2.396 . . . . 1.0 111.403 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -33.97 27.16 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.247 -1.342 . . . . 1.0 109.371 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 42.9 t -58.61 -33.6 70.19 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 123.918 0.761 . . . . 1.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.403 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 29.2 m0 -55.63 -43.5 76.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 124.066 0.854 . . . . 1.0 109.219 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 t -58.98 -44.2 91.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 113.806 -1.543 . . . . 1.0 109.746 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.75 -47.6 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 m -58.03 -37.79 75.02 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 114.393 -1.276 . . . . 1.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HZ2' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -72.48 -35.79 68.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 113.389 -1.732 . . . . 1.0 114.371 -179.728 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.446 HH11 ' HZ2' ' A' ' 18' ' ' LYS . 12.4 ptp180 -91.42 -0.85 57.69 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.974 0.731 . . . . 1.0 112.974 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.99 -69.41 0.87 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.541 -1.281 . . . . 1.0 107.541 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -125.5 54.68 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.894 -1.503 . . . . 1.0 113.206 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.2 t30 18.71 48.02 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 116.972 2.212 . . . . 1.0 116.972 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -118.23 162.75 17.74 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 113.678 -1.601 . . . . 1.0 109.596 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.411 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 10.1 t30 -133.42 24.52 4.11 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD2' ' H ' ' A' ' 24' ' ' ASN . 1.2 mpt_? -112.32 67.59 0.66 Allowed 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 114.006 -1.452 . . . . 1.0 111.6 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.97 164.06 21.42 Favored Glycine 0 N--CA 1.484 1.883 0 CA-C-N 115.274 -0.876 . . . . 1.0 114.289 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 13.9 ptmm? -137.26 158.38 44.55 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.22 -1.49 . . . . 1.0 109.292 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -107.52 132.16 53.54 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.619 0.97 . . . . 1.0 113.619 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptp -145.42 133.17 21.08 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.896 -1.52 . . . . 1.0 106.896 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.52 64.34 0.4 Allowed 'General case' 0 N--CA 1.508 2.436 0 O-C-N 124.293 0.996 . . . . 1.0 109.484 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.85 44.81 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 112.129 -2.305 . . . . 1.0 113.978 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -137.3 147.99 46.04 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 111.582 -2.554 . . . . 1.0 105.147 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.7 t -105.64 143.26 34.05 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.885 -0.726 . . . . 1.0 112.882 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.48 115.42 20.21 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.006 -2.22 . . . . 1.0 105.006 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.488 1.426 0 O-C-N 123.992 0.808 . . . . 1.0 112.368 -179.776 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 105.745 -1.946 . . . . 1.0 105.745 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -100.28 161.49 13.57 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.644 0.735 . . . . 1.0 111.938 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 30.5 p -138.16 170.79 15.41 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 113.401 -1.727 . . . . 1.0 110.571 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.5 m -122.1 -45.86 2.22 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 102.322 -3.214 . . . . 1.0 102.322 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.62 167.2 22.15 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.285 -1.78 . . . . 1.0 110.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 t -67.67 -45.08 76.26 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 104.795 -2.298 . . . . 1.0 104.795 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -50.81 -32.87 21.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 111.66 -2.518 . . . . 1.0 110.37 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -85.45 -36.46 20.59 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.441 -1.709 . . . . 1.0 108.736 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 t -56.62 -31.38 64.26 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.436 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.8 m0 -56.37 -44.71 80.42 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.42 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.9 t -58.63 -43.36 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 113.914 -1.494 . . . . 1.0 110.205 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.96 -51.24 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.774 -1.195 . . . . 1.0 107.774 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.33 -33.81 69.92 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.393 -1.276 . . . . 1.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' NZ ' HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -70.97 -37.12 72.77 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 114.625 -1.17 . . . . 1.0 110.99 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.448 HH21 ' NZ ' ' A' ' 18' ' ' LYS . 12.5 ptp180 -92.49 -5.55 51.61 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 120.448 -0.501 . . . . 1.0 111.499 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.0 -71.89 0.74 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.212 0.945 . . . . 1.0 110.037 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -110.22 42.56 1.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.273 0.983 . . . . 1.0 111.785 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.5 t30 22.01 51.21 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 115.924 1.824 . . . . 1.0 115.924 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 p -133.12 163.13 29.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.469 -1.696 . . . . 1.0 110.865 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.589 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 13.2 t-20 -127.23 15.21 7.25 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.075 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.589 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.04 65.6 0.62 Allowed 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.62 -1.173 . . . . 1.0 111.542 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.58 161.71 16.67 Favored Glycine 0 N--CA 1.483 1.775 0 CA-C-N 113.459 -1.7 . . . . 1.0 112.407 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 151.67 46.71 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.398 -1.401 . . . . 1.0 110.018 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.41 116.98 33.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.141 0.9 . . . . 1.0 109.52 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.2 mtp -133.08 128.76 36.9 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 123.902 0.751 . . . . 1.0 109.0 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 39.12 61.12 1.34 Allowed 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 123.026 1.393 . . . . 1.0 109.923 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HZ1' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 45.9 36.85 3.14 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 mtpm? -134.23 157.93 45.03 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.843 -1.54 . . . . 1.0 106.843 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.2 t -113.32 139.41 48.87 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.588 0.709 . . . . 1.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -121.91 134.66 54.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.543 -2.762 . . . . 1.0 103.543 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 55.8 m . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 107.836 -1.172 . . . . 1.0 107.836 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -106.49 160.16 15.62 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 124.348 1.03 . . . . 1.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -141.79 169.75 17.01 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.433 -1.712 . . . . 1.0 111.302 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -119.28 -44.78 2.57 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 102.91 -2.996 . . . . 1.0 102.91 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.49 169.23 18.15 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 113.531 -1.668 . . . . 1.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -73.1 -44.62 60.1 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 104.726 -2.324 . . . . 1.0 104.726 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.415 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.4 t-20 -51.84 -32.2 30.83 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 112.083 -2.326 . . . . 1.0 110.167 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.04 -38.03 18.28 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.031 -1.895 . . . . 1.0 108.458 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 t -55.88 -30.96 62.36 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.277 0.986 . . . . 1.0 109.208 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.415 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 33.0 m0 -58.99 -46.66 87.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.78 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.3 t -58.32 -44.37 88.61 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 113.836 -1.529 . . . . 1.0 109.886 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.73 -46.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 124.653 1.221 . . . . 1.0 108.16 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.8 m -63.09 -33.77 76.17 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.052 -0.976 . . . . 1.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HZ2' HH21 ' A' ' 19' ' ' ARG . 6.7 ttpm? -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.438 HH21 ' HZ2' ' A' ' 18' ' ' LYS . 11.3 ptp180 -96.0 -5.48 41.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 123.611 0.569 . . . . 1.0 112.065 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.16 -71.5 0.76 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 124.227 0.954 . . . . 1.0 109.164 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -110.2 42.68 1.5 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 124.539 1.149 . . . . 1.0 112.289 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 23.02 46.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 117.095 2.257 . . . . 1.0 117.095 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -131.64 166.46 21.4 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.469 -1.241 . . . . 1.0 111.025 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.491 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 14.5 t30 -126.13 13.29 7.78 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.992 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.491 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -105.92 68.54 0.78 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 114.085 -1.416 . . . . 1.0 109.544 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.07 163.98 15.31 Favored Glycine 0 N--CA 1.483 1.822 0 CA-C-N 114.599 -1.182 . . . . 1.0 114.085 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -135.27 145.88 48.0 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 113.331 -1.434 . . . . 1.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -104.14 127.05 51.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.488 0.493 . . . . 1.0 111.266 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptm -142.62 136.19 28.89 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.05 63.41 0.41 Allowed 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.661 1.226 . . . . 1.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.31 46.79 0.07 Allowed 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.743 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.89 149.0 47.38 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 111.496 -2.593 . . . . 1.0 105.139 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -110.2 144.33 39.02 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.373 1.249 . . . . 1.0 114.373 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -115.1 144.81 43.08 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 111.721 -2.491 . . . . 1.0 107.168 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 C--N 1.307 -1.253 0 O-C-N 124.228 0.955 . . . . 1.0 108.601 179.667 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.925 0 N-CA-C 104.112 -2.551 . . . . 1.0 104.112 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -93.11 159.34 15.33 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.677 0.751 . . . . 1.0 111.956 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.6 p -137.47 165.57 25.95 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 113.141 -1.845 . . . . 1.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -119.42 -47.35 2.45 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.584 -3.117 . . . . 1.0 102.584 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.72 168.95 19.48 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.078 -1.874 . . . . 1.0 109.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 t -62.11 -43.25 99.25 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.101 -1.814 . . . . 1.0 106.101 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -48.35 -33.31 8.78 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 111.988 -2.369 . . . . 1.0 111.985 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -91.47 -34.17 14.92 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.209 -1.36 . . . . 1.0 109.024 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.71 -32.66 65.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 1.0 109.115 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -57.19 -46.1 83.13 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.37 -1.286 . . . . 1.0 109.484 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -56.36 -44.61 80.27 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 125.136 1.523 . . . . 1.0 110.678 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.31 -52.0 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 124.66 1.225 . . . . 1.0 107.889 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.423 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 63.4 m -64.36 -21.9 66.78 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.581 -1.19 . . . . 1.0 111.685 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 25.1 ttpp -78.96 -32.2 45.3 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 124.055 0.847 . . . . 1.0 110.093 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.426 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.5 ptp180 -98.34 -1.15 42.37 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 123.618 0.574 . . . . 1.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -111.45 -70.29 0.82 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 114.525 -1.216 . . . . 1.0 108.937 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -119.34 48.12 1.56 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.362 1.038 . . . . 1.0 111.913 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 13.87 59.02 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 7.8 t -137.41 160.73 38.26 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 112.436 -2.165 . . . . 1.0 108.266 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -124.22 20.73 8.92 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 114.854 -1.066 . . . . 1.0 108.625 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -114.05 67.82 0.68 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 113.484 -1.689 . . . . 1.0 110.673 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.69 166.84 22.9 Favored Glycine 0 N--CA 1.482 1.728 0 CA-C-N 114.108 -1.406 . . . . 1.0 110.594 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -136.42 157.94 45.6 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 114.57 -0.815 . . . . 1.0 112.402 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.1 t -103.01 125.16 49.65 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 114.53 -1.214 . . . . 1.0 112.617 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.6 mtm -141.6 139.02 33.01 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 106.272 -1.751 . . . . 1.0 106.272 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.4 t30 33.97 60.26 0.54 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 123.473 1.606 . . . . 1.0 112.227 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 tptm 43.13 36.37 0.96 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 111.491 -2.595 . . . . 1.0 114.808 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 22.2 pttm -139.57 156.33 46.95 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.4 -1.704 . . . . 1.0 106.4 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -123.11 145.11 48.85 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.297 -2.229 . . . . 1.0 106.617 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.372 -0.973 . . . . 1.0 108.372 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 108.646 -0.872 . . . . 1.0 108.646 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -106.3 160.52 15.3 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.443 1.089 . . . . 1.0 111.771 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.37 167.33 21.81 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 112.725 -2.034 . . . . 1.0 110.656 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.8 m -117.75 -47.14 2.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 102.206 -3.257 . . . . 1.0 102.206 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.31 167.5 22.29 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.085 -1.871 . . . . 1.0 108.919 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -63.07 -44.23 96.36 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.459 -1.682 . . . . 1.0 106.459 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -48.12 -38.26 17.34 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 112.03 -2.35 . . . . 1.0 111.676 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.55 -35.33 22.91 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.112 -1.403 . . . . 1.0 108.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.41 -29.8 64.41 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 124.052 0.845 . . . . 1.0 109.312 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 32.7 m0 -59.3 -48.48 81.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.239 0.962 . . . . 1.0 108.585 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -55.85 -45.25 78.51 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 113.97 -1.468 . . . . 1.0 109.754 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.61 -44.52 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-N 114.334 -1.303 . . . . 1.0 108.513 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.2 m -73.34 -18.43 61.19 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -81.31 -27.59 34.96 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.928 0.768 . . . . 1.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -100.18 -7.07 25.18 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.837 0.711 . . . . 1.0 109.904 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 7.0 mp -110.79 -71.53 0.76 Allowed 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.33 1.019 . . . . 1.0 109.903 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.412 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 16.6 m170 -107.57 40.36 1.72 Allowed 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.369 -1.287 . . . . 1.0 111.928 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 17.4 56.57 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 116.414 2.005 . . . . 1.0 116.414 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.2 t -139.26 166.43 24.55 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.832 -1.985 . . . . 1.0 108.989 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 21.2 t30 -120.57 8.21 10.67 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.16 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.435 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.24 80.17 1.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.452 -1.249 . . . . 1.0 109.6 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.53 165.09 20.76 Favored Glycine 0 N--CA 1.482 1.754 0 CA-C-N 114.654 -1.157 . . . . 1.0 111.834 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -132.96 143.38 49.42 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 114.172 -1.014 . . . . 1.0 111.297 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -101.57 122.47 43.9 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.503 0.502 . . . . 1.0 109.975 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -139.88 134.61 31.88 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.922 -1.14 . . . . 1.0 107.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 34.09 63.2 0.42 Allowed 'General case' 0 N--CA 1.507 2.405 0 O-C-N 124.683 1.239 . . . . 1.0 109.345 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 33.9 47.02 0.16 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 112.112 -2.313 . . . . 1.0 113.388 -179.44 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -137.76 150.44 47.26 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-N 111.838 -2.437 . . . . 1.0 105.234 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.31 146.52 32.82 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.787 1.402 . . . . 1.0 114.787 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.3 tpt180 -118.11 147.79 42.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 112.587 -2.097 . . . . 1.0 108.087 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.408 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 39.7 m . . . . . 0 C--N 1.307 -1.247 0 N-CA-C 107.772 -1.195 . . . . 1.0 107.772 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 105.074 -2.195 . . . . 1.0 105.074 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -98.63 158.5 15.57 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 116.426 2.01 . . . . 1.0 116.426 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 23.0 p -137.84 167.36 21.89 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 112.883 -1.962 . . . . 1.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -118.28 -47.62 2.55 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 102.355 -3.202 . . . . 1.0 102.355 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.54 168.27 21.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 112.751 -2.022 . . . . 1.0 108.173 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -43.78 94.04 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 105.436 -2.061 . . . . 1.0 105.436 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -47.66 -34.15 7.7 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 111.657 -2.52 . . . . 1.0 111.671 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -34.66 14.67 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.221 -1.354 . . . . 1.0 108.528 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.9 t -56.94 -25.63 57.98 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.388 1.055 . . . . 1.0 109.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -65.64 -52.19 53.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.34 1.025 . . . . 1.0 108.571 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 t -54.34 -41.96 69.7 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 114.322 -1.308 . . . . 1.0 109.606 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -66.63 -46.68 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 113.861 -1.518 . . . . 1.0 107.613 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 69.2 m -65.39 -20.59 66.44 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 124.267 0.979 . . . . 1.0 112.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -72.06 -36.99 69.72 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 105.66 -1.978 . . . . 1.0 105.66 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -99.46 9.23 43.64 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.796 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -114.04 -69.38 0.86 Allowed 'General case' 0 N--CA 1.504 2.24 0 CA-C-N 114.246 -1.343 . . . . 1.0 108.927 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.74 45.35 2.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 18.97 59.48 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.985 1.846 . . . . 1.0 115.985 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 t -141.2 166.65 24.2 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 112.279 -2.237 . . . . 1.0 109.444 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.472 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 11.3 t-20 -125.15 4.6 7.87 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 114.845 -1.07 . . . . 1.0 109.859 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -109.93 72.84 0.81 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.462 1.125 . . . . 1.0 108.943 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.28 169.09 14.85 Favored Glycine 0 N--CA 1.482 1.741 0 CA-C-N 112.881 -1.963 . . . . 1.0 110.785 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.82 148.2 52.31 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.6 t -102.78 122.07 43.74 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.033 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -138.01 133.21 33.33 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.534 -1.284 . . . . 1.0 107.534 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 34.08 65.72 0.3 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 124.662 1.226 . . . . 1.0 109.077 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.33 45.72 0.09 Allowed 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.163 -2.29 . . . . 1.0 113.946 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 43.5 mmtm -136.95 152.39 50.12 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 111.971 -2.377 . . . . 1.0 105.563 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 42.2 t -110.86 144.36 40.01 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.292 1.59 . . . . 1.0 115.292 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -116.95 145.93 43.31 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 111.374 -2.648 . . . . 1.0 108.321 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.8 m . . . . . 0 C--N 1.305 -1.368 0 N-CA-C 105.668 -1.975 . . . . 1.0 105.668 179.633 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 106.744 -1.576 . . . . 1.0 106.744 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 50.1 m -94.78 161.17 14.28 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 123.784 0.677 . . . . 1.0 112.488 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 20.5 p -138.57 166.22 24.88 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.263 -1.335 . . . . 1.0 110.767 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.7 m -120.12 -48.26 2.34 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 102.54 -3.133 . . . . 1.0 102.54 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.69 167.48 23.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 112.983 -1.917 . . . . 1.0 108.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -62.23 -41.91 98.84 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 105.866 -1.901 . . . . 1.0 105.866 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -49.47 -33.97 15.7 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 111.697 -2.501 . . . . 1.0 111.543 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -90.55 -33.87 15.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.335 -1.302 . . . . 1.0 108.972 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t -57.16 -32.71 66.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 124.246 0.966 . . . . 1.0 109.376 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -54.91 -47.7 74.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 114.597 -1.183 . . . . 1.0 109.795 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -53.37 -42.84 67.29 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 125.415 1.697 . . . . 1.0 111.105 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -66.3 -50.86 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 114.368 -1.287 . . . . 1.0 107.733 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 78.2 m -66.25 -15.84 63.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 124.286 0.991 . . . . 1.0 111.958 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -81.41 -29.85 33.76 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -102.81 5.18 38.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.826 0.704 . . . . 1.0 110.076 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -112.8 -66.24 1.1 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 114.14 -1.391 . . . . 1.0 109.007 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -127.2 48.09 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.488 -1.687 . . . . 1.0 111.538 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 16.84 57.64 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 113.399 -1.728 . . . . 1.0 115.449 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -137.25 163.7 30.3 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 112.691 -2.05 . . . . 1.0 111.013 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -126.9 20.26 7.04 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.681 -1.6 . . . . 1.0 107.361 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.451 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.62 66.28 0.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.201 -1.818 . . . . 1.0 109.017 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.63 165.68 20.61 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 113.485 -1.689 . . . . 1.0 111.491 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -135.07 155.36 50.86 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 114.095 -1.052 . . . . 1.0 112.159 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -103.46 129.18 50.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.6 ptm -143.83 137.69 28.15 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.871 -1.529 . . . . 1.0 106.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.407 HD21 ' HZ2' ' A' ' 32' ' ' LYS . 12.2 p-10 27.75 68.53 0.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 123.777 1.751 . . . . 1.0 110.681 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 33.44 44.87 0.07 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.572 -3.467 . . . . 1.0 114.514 -179.58 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 34.6 mtmm -143.49 155.48 44.36 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 112.188 -2.278 . . . . 1.0 107.608 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.3 t -103.67 152.99 21.15 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 117.019 2.229 . . . . 1.0 117.019 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -124.5 143.65 50.54 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 112.151 -2.295 . . . . 1.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 105.918 -1.882 . . . . 1.0 105.918 179.595 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 104.931 -2.248 . . . . 1.0 104.931 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 m -96.05 159.58 14.89 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 121.825 0.821 . . . . 1.0 112.284 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.0 p -140.29 168.14 20.51 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.005 -1.907 . . . . 1.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -120.13 -44.07 2.51 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 103.58 -2.748 . . . . 1.0 103.58 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.26 168.39 19.26 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.448 -1.705 . . . . 1.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 t -71.27 -44.35 65.43 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 105.092 -2.188 . . . . 1.0 105.092 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.413 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.1 t-20 -51.64 -30.86 23.17 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 112.379 -2.191 . . . . 1.0 110.385 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -88.3 -36.26 16.77 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.3 -1.773 . . . . 1.0 108.64 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -56.46 -32.54 65.06 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 124.064 0.852 . . . . 1.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.413 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.2 m0 -54.8 -46.29 74.48 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 114.59 -1.186 . . . . 1.0 109.276 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.6 t -55.75 -41.33 73.8 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.327 -1.761 . . . . 1.0 110.309 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.22 -49.3 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 124.473 1.108 . . . . 1.0 108.011 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.72 -24.62 67.76 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.71 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -43.72 24.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 124.14 0.9 . . . . 1.0 111.44 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -82.95 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 120.127 -0.629 . . . . 1.0 112.476 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 10.4 mp -111.59 -64.94 1.22 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 124.113 0.883 . . . . 1.0 110.722 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.513 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 55.1 m-70 -109.85 37.51 2.64 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.573 -1.649 . . . . 1.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 23.5 49.58 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 116.106 1.891 . . . . 1.0 116.106 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 p -134.3 162.75 31.31 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 113.859 -1.518 . . . . 1.0 110.351 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' C ' ' HE ' ' A' ' 25' ' ' ARG . 20.6 t-20 -126.78 -0.58 6.69 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.406 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HE ' ' C ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -97.26 70.91 2.36 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.992 -179.743 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.83 168.92 15.12 Favored Glycine 0 N--CA 1.487 2.047 0 CA-C-N 114.496 -1.229 . . . . 1.0 112.563 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -131.36 147.08 52.53 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 114.079 -1.061 . . . . 1.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.16 135.9 44.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 123.967 0.792 . . . . 1.0 110.585 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.4 ptm -156.96 146.54 20.56 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.215 -1.402 . . . . 1.0 107.215 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.9 t30 32.88 58.52 0.44 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-O 123.365 1.555 . . . . 1.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 36.23 42.56 0.18 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.308 -2.678 . . . . 1.0 114.93 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -141.87 153.22 44.29 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.43 146.21 33.44 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 114.028 1.122 . . . . 1.0 114.028 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -126.94 154.43 44.52 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 112.894 -1.957 . . . . 1.0 107.049 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 107.775 -1.195 . . . . 1.0 107.775 179.569 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 106.567 -1.642 . . . . 1.0 106.567 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -102.51 158.02 16.51 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.064 0.853 . . . . 1.0 111.619 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.0 p -143.57 169.41 17.77 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.823 -1.535 . . . . 1.0 111.329 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -118.73 -43.79 2.66 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 110.974 -2.83 . . . . 1.0 103.583 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.87 169.12 18.09 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.553 -1.658 . . . . 1.0 111.054 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.4 m -75.99 -43.62 43.57 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -53.39 -31.21 43.8 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 112.278 -2.237 . . . . 1.0 109.355 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -86.8 -38.09 17.19 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 113.077 -1.874 . . . . 1.0 107.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 t -55.25 -29.44 58.07 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 124.349 1.031 . . . . 1.0 109.114 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.403 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 37.9 m0 -59.88 -47.14 86.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 124.276 0.985 . . . . 1.0 109.16 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -57.31 -44.16 83.91 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 114.048 -1.433 . . . . 1.0 109.72 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -59.82 -50.81 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 CA-C-N 114.491 -1.232 . . . . 1.0 107.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -56.61 -34.83 67.61 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.484 -1.235 . . . . 1.0 111.365 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -72.3 -34.94 68.52 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.148 -1.387 . . . . 1.0 112.028 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -95.14 0.0 53.77 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 3.3 mp -111.7 -69.06 0.89 Allowed 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 114.548 -1.206 . . . . 1.0 109.811 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -121.76 48.32 1.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.605 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.2 t30 18.66 54.62 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 116.607 2.077 . . . . 1.0 116.607 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -128.69 163.95 24.0 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 112.841 -1.981 . . . . 1.0 110.084 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.457 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 23.0 t30 -130.26 -2.48 4.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 113.343 0.868 . . . . 1.0 113.343 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.58 74.67 1.02 Allowed 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.938 0.875 . . . . 1.0 111.525 -179.677 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 168.19 15.85 Favored Glycine 0 N--CA 1.483 1.789 0 CA-C-N 113.649 -1.614 . . . . 1.0 111.368 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -131.65 149.84 52.35 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 114.229 -0.986 . . . . 1.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.56 144.96 30.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 123.741 0.651 . . . . 1.0 110.639 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 ptp -167.77 151.06 6.01 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.15 -1.426 . . . . 1.0 107.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 31.08 61.16 0.24 Allowed 'General case' 0 N--CA 1.509 2.488 0 O-C-N 124.579 1.175 . . . . 1.0 110.407 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.35 43.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 111.706 -2.497 . . . . 1.0 114.209 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 58.4 pttt -141.59 152.13 43.77 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 111.621 -2.536 . . . . 1.0 105.75 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.909 0.862 . . . . 1.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.06 138.28 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.244 -2.132 . . . . 1.0 105.244 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.307 -1.255 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.026 0 N-CA-C 105.585 -2.006 . . . . 1.0 105.585 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.499 ' HG ' ' H ' ' A' ' 7' ' ' CYS . 34.8 t -102.61 157.02 17.23 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 122.735 1.255 . . . . 1.0 113.624 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.499 ' H ' ' HG ' ' A' ' 6' ' ' SER . 23.7 p -146.81 168.26 21.86 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 111.891 -2.413 . . . . 1.0 109.435 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -115.01 -39.79 3.6 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 104.054 -2.573 . . . . 1.0 104.054 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.24 167.75 20.97 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 114.005 -1.452 . . . . 1.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 t -69.45 -42.59 74.72 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 105.842 -1.91 . . . . 1.0 105.842 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -48.76 -36.76 17.2 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 112.785 -2.007 . . . . 1.0 111.14 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.57 -35.55 19.41 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.076 -1.42 . . . . 1.0 108.57 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -55.9 -30.15 61.13 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 124.023 0.827 . . . . 1.0 109.45 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -61.01 -47.38 86.71 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 114.743 -1.117 . . . . 1.0 108.088 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -57.97 -43.55 86.57 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 114.248 -1.342 . . . . 1.0 109.533 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.24 -46.36 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 107.659 -1.237 . . . . 1.0 107.659 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.11 -23.85 64.05 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 115.175 -0.921 . . . . 1.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 25.1 ttpp -76.76 -28.71 55.81 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.837 0.711 . . . . 1.0 109.887 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.419 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.5 ptp180 -100.33 -5.31 27.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.641 0.588 . . . . 1.0 110.376 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -111.35 -71.97 0.74 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 124.412 1.07 . . . . 1.0 109.559 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -108.17 40.92 1.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.695 1.247 . . . . 1.0 111.663 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 18.17 58.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.49 2.033 . . . . 1.0 116.49 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 t -143.7 163.57 32.9 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 112.365 -2.198 . . . . 1.0 108.277 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.486 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 13.9 t30 -120.66 20.3 11.76 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.941 0.876 . . . . 1.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -111.83 83.98 1.88 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 113.29 -1.777 . . . . 1.0 109.306 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.76 165.31 23.89 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 114.343 -1.298 . . . . 1.0 112.312 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -133.74 132.86 41.07 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 113.749 -1.225 . . . . 1.0 108.611 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.28 151.76 23.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.216 0.821 . . . . 1.0 113.216 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptm -178.35 153.58 0.75 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 124.699 1.25 . . . . 1.0 108.029 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 33.35 56.74 0.51 Allowed 'General case' 0 N--CA 1.506 2.348 0 CA-C-O 122.655 1.217 . . . . 1.0 111.325 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 37.15 42.5 0.27 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.124 -2.307 . . . . 1.0 114.03 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 57.7 pttt -142.82 151.69 41.42 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 105.057 -2.201 . . . . 1.0 105.057 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.06 152.39 31.09 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.842 0.829 . . . . 1.0 113.042 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.0 149.88 42.85 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.644 -2.071 . . . . 1.0 107.24 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.483 1.222 0 O-C-N 123.69 0.619 . . . . 1.0 110.24 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 104.993 -2.225 . . . . 1.0 104.993 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 m -102.49 153.66 19.85 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.282 2.327 . . . . 1.0 117.282 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 p -140.55 169.73 17.1 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 111.546 -2.57 . . . . 1.0 109.879 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 m -117.88 -39.39 3.11 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 111.761 -2.472 . . . . 1.0 104.731 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.59 169.78 16.79 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 124.986 1.429 . . . . 1.0 111.843 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -78.24 -44.99 24.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.474 -2.417 . . . . 1.0 104.474 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -52.52 -32.24 39.44 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 112.134 -2.303 . . . . 1.0 109.305 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -86.45 -38.56 17.2 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 112.935 -1.939 . . . . 1.0 107.576 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.9 t -55.62 -26.27 43.25 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.214 0.947 . . . . 1.0 109.241 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -64.53 -51.8 61.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 124.198 0.936 . . . . 1.0 108.66 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.7 t -53.87 -45.66 71.08 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.803 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.6 mp -60.43 -43.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 CA-C-N 112.982 -1.917 . . . . 1.0 108.471 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.1 m -67.1 -28.78 68.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.124 0.89 . . . . 1.0 111.747 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -72.2 -29.34 63.89 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.203 -0.908 . . . . 1.0 109.414 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -103.14 8.45 38.63 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 121.593 0.711 . . . . 1.0 111.03 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.6 mp -113.49 -71.51 0.75 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-N 113.743 -1.571 . . . . 1.0 108.978 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -126.35 49.07 2.04 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 113.072 -1.876 . . . . 1.0 110.281 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 t30 22.92 50.1 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.541 2.052 . . . . 1.0 116.541 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -131.6 167.08 20.04 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.915 -1.493 . . . . 1.0 111.563 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -126.89 16.47 7.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 113.665 -1.607 . . . . 1.0 108.547 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -111.5 64.61 0.62 Allowed 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 114.402 -1.272 . . . . 1.0 112.346 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.42 155.63 19.53 Favored Glycine 0 N--CA 1.481 1.677 0 CA-C-N 114.58 -1.191 . . . . 1.0 112.536 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.49 147.63 49.16 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 112.886 -1.657 . . . . 1.0 108.659 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -107.61 145.49 33.21 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.433 1.083 . . . . 1.0 112.285 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptm -166.16 151.21 8.29 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.2 -1.407 . . . . 1.0 107.2 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 30.85 59.36 0.24 Allowed 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 123.217 1.484 . . . . 1.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 36.76 43.97 0.31 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 111.684 -2.507 . . . . 1.0 114.481 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -144.81 149.06 34.79 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 112.837 -1.983 . . . . 1.0 106.404 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 t -112.97 145.49 40.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.745 0.653 . . . . 1.0 112.52 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.28 134.34 54.67 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 104.991 -2.226 . . . . 1.0 104.991 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.2 m . . . . . 0 N--CA 1.487 1.393 0 O-C-N 123.692 0.62 . . . . 1.0 111.089 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 107.349 -1.352 . . . . 1.0 107.349 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.422 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 45.2 t -101.46 160.5 14.38 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 122.336 1.065 . . . . 1.0 112.101 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.11 169.77 17.18 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.364 -2.198 . . . . 1.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -115.66 -45.93 2.87 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 102.434 -3.172 . . . . 1.0 102.434 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.08 169.27 19.02 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 112.99 -1.914 . . . . 1.0 109.024 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -58.59 -42.29 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 106.457 -1.683 . . . . 1.0 106.457 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.411 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.1 t-20 -48.79 -38.39 21.87 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.112 -2.313 . . . . 1.0 111.388 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -84.51 -33.79 23.47 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.255 -1.339 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.6 t -57.23 -34.43 68.56 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.733 -0.84 . . . . 1.0 108.733 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.411 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 26.1 m0 -56.89 -44.19 82.07 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.193 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -58.66 -44.28 90.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.801 -1.545 . . . . 1.0 109.871 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.5 -48.49 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 124.57 1.169 . . . . 1.0 108.302 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.401 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 34.7 m -56.66 -38.5 72.27 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 113.988 -1.46 . . . . 1.0 110.602 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 24.9 ttpp -73.08 -33.15 65.46 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 113.328 -1.76 . . . . 1.0 114.928 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.416 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.6 ptp180 -94.66 -0.52 54.33 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 113.293 0.849 . . . . 1.0 113.293 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -110.22 -68.8 0.9 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.423 ' CE1' ' HG1' ' A' ' 23' ' ' THR . 5.5 p80 -125.92 55.63 1.45 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.817 -1.538 . . . . 1.0 113.422 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.6 t30 19.07 46.76 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.681 2.475 . . . . 1.0 117.681 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.423 ' HG1' ' CE1' ' A' ' 21' ' ' HIS . 1.1 p -117.14 165.37 13.48 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 114.075 -1.42 . . . . 1.0 108.927 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 18.6 t30 -131.65 -1.92 3.81 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 113.807 1.04 . . . . 1.0 113.807 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -100.86 77.47 1.86 Allowed 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 113.873 1.064 . . . . 1.0 113.873 -179.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.77 168.16 15.98 Favored Glycine 0 N--CA 1.484 1.868 0 CA-C-N 113.796 -1.547 . . . . 1.0 111.795 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 148.72 51.68 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 113.936 -1.132 . . . . 1.0 108.853 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.31 121.9 45.15 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.549 0.944 . . . . 1.0 113.549 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 39.8 mtm -137.05 135.11 37.25 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 106.633 -1.617 . . . . 1.0 106.633 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.67 63.95 0.43 Allowed 'General case' 0 N--CA 1.506 2.346 0 O-C-N 124.944 1.403 . . . . 1.0 109.136 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.72 46.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 111.91 -2.405 . . . . 1.0 113.648 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -137.36 148.31 46.17 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 104.568 -2.382 . . . . 1.0 104.568 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.7 t -110.76 133.51 53.28 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.956 0.884 . . . . 1.0 113.315 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -117.26 107.0 13.89 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.909 -1.886 . . . . 1.0 105.909 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 C--N 1.305 -1.326 0 O-C-N 123.925 0.766 . . . . 1.0 111.08 -179.671 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 107.283 -1.377 . . . . 1.0 107.283 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m -100.86 161.12 13.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -140.25 169.86 16.9 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 113.348 -1.751 . . . . 1.0 111.121 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -121.66 -45.22 2.3 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 103.091 -2.929 . . . . 1.0 103.091 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.48 170.32 16.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.389 -1.732 . . . . 1.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -72.71 -44.15 62.1 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 104.804 -2.295 . . . . 1.0 104.804 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.402 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.3 t-20 -52.23 -31.12 30.65 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.315 -2.22 . . . . 1.0 110.022 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -87.77 -36.18 17.45 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.184 -1.826 . . . . 1.0 108.519 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.68 -33.25 63.98 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 108.407 -0.96 . . . . 1.0 108.407 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.402 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 34.0 m0 -56.74 -45.11 82.16 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.285 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -56.44 -44.6 80.62 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 113.799 -1.546 . . . . 1.0 109.985 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.63 -48.61 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 124.695 1.247 . . . . 1.0 108.132 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.9 m -59.54 -32.74 70.6 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.228 -1.351 . . . . 1.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -79.54 -28.46 41.25 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.898 -1.501 . . . . 1.0 114.549 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -96.82 -1.42 46.18 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.121 0.486 . . . . 1.0 111.826 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.1 -69.63 0.85 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.213 -1.358 . . . . 1.0 107.881 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -124.87 56.52 1.31 Allowed 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 113.82 -1.536 . . . . 1.0 113.442 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 t30 17.96 46.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 117.863 2.542 . . . . 1.0 117.863 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -117.15 161.84 18.8 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 114.056 -1.429 . . . . 1.0 108.752 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -134.28 19.95 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.145 0.498 . . . . 1.0 110.242 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -116.87 70.39 0.77 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.691 1.367 . . . . 1.0 114.691 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.05 167.74 21.02 Favored Glycine 0 N--CA 1.484 1.843 0 CA-C-N 114.274 -1.33 . . . . 1.0 111.793 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -133.54 152.82 51.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 113.949 -1.125 . . . . 1.0 108.681 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.43 130.14 50.7 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.603 0.964 . . . . 1.0 113.603 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ptp -143.14 136.87 28.64 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.492 -1.67 . . . . 1.0 106.492 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.3 64.5 0.37 Allowed 'General case' 0 N--CA 1.508 2.442 0 O-C-N 124.513 1.133 . . . . 1.0 109.248 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.91 45.74 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 112.204 -2.271 . . . . 1.0 113.917 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -138.46 146.75 42.47 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 111.695 -2.502 . . . . 1.0 105.349 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -106.25 136.75 45.42 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.759 -0.776 . . . . 1.0 112.474 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 115.65 23.69 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 104.219 -2.511 . . . . 1.0 104.219 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.486 1.36 0 O-C-N 123.758 0.661 . . . . 1.0 111.942 -179.704 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 104.959 -2.237 . . . . 1.0 104.959 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -77.42 156.08 31.38 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 117.211 2.301 . . . . 1.0 117.211 -179.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.6 155.48 38.51 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 111.798 -2.455 . . . . 1.0 108.448 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -102.61 -33.16 9.56 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 104.353 -2.462 . . . . 1.0 104.353 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.29 166.0 33.16 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 113.623 -1.626 . . . . 1.0 109.979 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.6 t -52.74 -44.15 66.23 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 123.496 1.617 . . . . 1.0 108.307 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.423 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 20.2 t-20 -47.61 -39.57 17.25 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 110.949 -2.841 . . . . 1.0 112.059 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -28.71 21.75 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 112.729 -2.032 . . . . 1.0 109.83 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -65.55 -27.72 68.65 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 36.4 m0 -60.41 -46.88 88.42 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.783 -1.098 . . . . 1.0 108.33 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -54.88 -42.14 71.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.224 -1.807 . . . . 1.0 110.677 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.46 -47.49 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 CA-C-N 113.266 -1.788 . . . . 1.0 108.335 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 84.0 m -66.18 -21.86 66.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 124.053 0.846 . . . . 1.0 111.502 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -75.79 -36.58 59.73 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 124.191 0.932 . . . . 1.0 109.708 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -91.81 -9.66 42.68 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 124.031 0.832 . . . . 1.0 111.537 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.87 -73.58 0.68 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 114.26 -1.336 . . . . 1.0 110.784 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -112.11 43.89 1.51 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.93 -1.487 . . . . 1.0 114.545 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.554 ' H ' HD21 ' A' ' 22' ' ' ASN . 2.3 m120 21.25 55.9 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 127.584 2.354 . . . . 1.0 116.898 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -134.74 164.62 27.14 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 110.921 -2.854 . . . . 1.0 113.497 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.456 ' H ' HH11 ' A' ' 25' ' ' ARG . 23.4 t30 -125.98 3.35 7.28 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.741 -1.572 . . . . 1.0 110.773 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.456 HH11 ' H ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -114.0 83.31 1.85 Allowed 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 113.595 -1.639 . . . . 1.0 110.718 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.53 171.1 20.82 Favored Glycine 0 C--O 1.215 -1.033 0 CA-C-N 112.585 -2.098 . . . . 1.0 112.482 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.2 130.93 48.76 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 113.236 -1.482 . . . . 1.0 111.436 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -99.82 151.21 21.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.3 ptm 176.46 152.72 0.18 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 124.415 1.072 . . . . 1.0 108.688 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 36.36 55.82 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 CA-C-O 122.936 1.35 . . . . 1.0 110.155 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 36.83 44.74 0.37 Allowed 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 111.646 -2.525 . . . . 1.0 114.605 -179.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -149.74 153.26 36.61 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 111.323 -2.671 . . . . 1.0 106.057 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 31.3 t -106.7 157.79 17.45 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 116.058 1.873 . . . . 1.0 116.058 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.87 144.34 50.71 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 113.313 -1.767 . . . . 1.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 179.59 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 108.838 -0.801 . . . . 1.0 108.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.495 ' H ' HH11 ' A' ' 34' ' ' ARG . 50.1 t80 -4.04 127.19 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 117.558 2.429 . . . . 1.0 117.558 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.5 p -124.11 -176.21 3.44 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 112.612 -2.085 . . . . 1.0 110.985 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -109.7 37.41 2.65 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 112.178 -2.283 . . . . 1.0 106.256 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -101.8 153.78 19.51 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 113.01 -1.905 . . . . 1.0 105.926 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 54.1 p -103.98 149.9 24.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 119.507 3.151 . . . . 1.0 119.507 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 p -131.43 170.27 14.9 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 112.532 -2.122 . . . . 1.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.3 m -118.92 -43.97 2.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 110.84 -2.891 . . . . 1.0 103.227 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.46 169.25 18.12 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.656 -1.611 . . . . 1.0 111.432 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -72.71 -46.41 53.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 104.483 -2.414 . . . . 1.0 104.483 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.435 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -50.61 -32.78 19.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 111.786 -2.461 . . . . 1.0 110.127 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -85.12 -38.91 18.51 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.157 -1.838 . . . . 1.0 108.2 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -55.64 -27.14 48.15 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 124.369 1.043 . . . . 1.0 109.219 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.435 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.9 m0 -60.48 -48.73 80.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.238 0.961 . . . . 1.0 109.304 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -54.44 -44.47 72.52 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.226 -1.352 . . . . 1.0 108.954 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -63.96 -39.67 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 113.39 -1.732 . . . . 1.0 108.559 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.494 ' SG ' ' HA3' ' A' ' 26' ' ' GLY . 71.7 m -68.31 -27.77 66.58 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.236 0.96 . . . . 1.0 111.801 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -69.91 -35.59 74.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.808 -1.182 . . . . 1.0 107.808 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -98.6 14.31 28.9 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.845 0.831 . . . . 1.0 111.695 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -113.97 -71.84 0.73 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.034 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -131.68 50.47 2.23 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 112.966 -1.925 . . . . 1.0 109.507 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 24.78 52.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 115.654 1.724 . . . . 1.0 115.654 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -129.92 165.0 22.98 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 113.473 -1.694 . . . . 1.0 112.117 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -125.71 14.07 8.06 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.09 -1.868 . . . . 1.0 107.544 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.3 mpt_? -111.13 70.23 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.902 -1.499 . . . . 1.0 110.467 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.494 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -122.66 157.43 17.26 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 112.628 -2.078 . . . . 1.0 110.469 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 26' ' ' GLY . 1.3 mppt? -128.36 145.57 51.03 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 112.992 -1.604 . . . . 1.0 108.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -103.97 121.75 43.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 124.267 0.98 . . . . 1.0 109.122 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 ptm -133.35 133.17 42.15 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 106.948 -1.501 . . . . 1.0 106.948 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 34.63 64.88 0.38 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 124.853 1.345 . . . . 1.0 108.255 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 33.55 46.3 0.12 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.072 -2.331 . . . . 1.0 113.853 -179.442 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 52.5 mtpt -138.41 150.11 46.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 112.205 -2.27 . . . . 1.0 106.228 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.6 138.11 45.45 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.449 1.277 . . . . 1.0 114.449 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.495 HH11 ' H ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -120.53 133.84 55.35 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.297 -2.112 . . . . 1.0 105.297 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.6 m -125.46 167.04 15.54 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.233 0.827 . . . . 1.0 113.233 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -111.53 170.44 8.13 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.823 -1.535 . . . . 1.0 107.265 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 N--CA 1.505 2.285 0 O-C-N 124.781 1.301 . . . . 1.0 113.925 -179.708 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 121.504 0.669 . . . . 1.0 110.653 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -75.25 157.35 34.6 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 114.995 -1.002 . . . . 1.0 111.36 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -123.27 176.51 6.07 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.693 -1.139 . . . . 1.0 109.503 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -112.8 36.6 3.4 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 105.805 -1.924 . . . . 1.0 105.805 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.9 160.8 22.71 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 114.186 -1.37 . . . . 1.0 107.903 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -102.91 162.24 13.09 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.967 -1.015 . . . . 1.0 113.022 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -140.35 169.36 17.82 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 112.904 -1.953 . . . . 1.0 110.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -120.47 -44.91 2.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 103.045 -2.946 . . . . 1.0 103.045 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.54 169.44 17.69 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 113.312 -1.767 . . . . 1.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -71.17 -44.21 65.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 104.702 -2.333 . . . . 1.0 104.702 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.6 t-20 -51.79 -32.49 31.46 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 112.161 -2.291 . . . . 1.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -86.42 -36.33 19.19 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.331 -1.759 . . . . 1.0 108.659 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.23 -31.41 65.49 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 124.217 0.948 . . . . 1.0 109.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.422 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 46.3 m0 -54.64 -44.2 72.99 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.765 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.86 -45.75 89.39 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 113.632 -1.622 . . . . 1.0 110.356 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.53 -47.36 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 107.737 -1.209 . . . . 1.0 107.737 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.38 -27.91 68.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 114.9 -1.046 . . . . 1.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 25.8 ttpp -74.05 -29.5 61.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.733 0.645 . . . . 1.0 111.1 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.467 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.5 ptp180 -99.65 -8.89 23.8 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 123.605 0.566 . . . . 1.0 110.807 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.76 -67.53 0.99 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 124.092 0.87 . . . . 1.0 110.106 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -103.96 35.06 2.78 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.078 -1.419 . . . . 1.0 112.265 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 25.85 43.33 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.664 2.098 . . . . 1.0 116.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.5 p -136.94 167.97 20.47 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 114.93 -1.032 . . . . 1.0 112.356 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.54 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 13.5 t-20 -122.53 21.79 10.09 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 114.033 -1.44 . . . . 1.0 108.203 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.54 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.39 72.96 0.81 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.063 -1.88 . . . . 1.0 108.304 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.96 165.25 16.89 Favored Glycine 0 N--CA 1.483 1.792 0 CA-C-N 113.635 -1.621 . . . . 1.0 112.96 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -138.05 138.89 39.25 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 112.911 -1.645 . . . . 1.0 108.72 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.3 t -103.15 121.5 42.77 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.5 mtp -132.42 133.74 44.27 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.147 -1.427 . . . . 1.0 107.147 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 33.65 66.12 0.25 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 124.993 1.433 . . . . 1.0 108.531 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.03 46.2 0.06 Allowed 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 111.795 -2.457 . . . . 1.0 113.976 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -135.54 145.12 46.7 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 103.987 -2.597 . . . . 1.0 103.987 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.4 t -106.19 140.65 38.81 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 115.427 1.64 . . . . 1.0 115.427 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.1 tpt180 -121.06 149.05 43.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 112.274 -2.239 . . . . 1.0 108.623 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.4 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 18.8 m -127.96 161.41 29.18 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -103.82 -37.76 7.31 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.424 -0.954 . . . . 1.0 108.424 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 116.382 -1.771 . . . . 1.0 107.864 179.796 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -12.37 138.03 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.549 0 N-CA-C 117.69 2.478 . . . . 1.0 117.69 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 p -122.59 176.12 6.1 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.366 -1.288 . . . . 1.0 111.208 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -121.43 41.86 3.23 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 113.067 -1.878 . . . . 1.0 107.601 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -113.18 164.99 12.83 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 105.211 -2.144 . . . . 1.0 105.211 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -105.01 157.66 17.08 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 p -143.29 171.52 14.0 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 111.986 -2.37 . . . . 1.0 110.552 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -117.2 -41.74 2.97 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.195 -2.73 . . . . 1.0 103.78 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.56 171.32 14.67 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.631 -1.622 . . . . 1.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -77.1 -46.85 22.15 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 104.155 -2.535 . . . . 1.0 104.155 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -50.35 -30.41 12.12 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 112.144 -2.298 . . . . 1.0 110.294 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -91.33 -37.8 13.02 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.854 -1.976 . . . . 1.0 108.336 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.53 -29.52 37.11 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 124.37 1.044 . . . . 1.0 109.247 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -58.52 -49.5 77.15 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.256 -1.338 . . . . 1.0 108.421 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.08 -45.85 83.0 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 113.86 -1.518 . . . . 1.0 109.482 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.77 -36.99 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.693 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.6 m -81.08 -18.2 47.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.115 -0.634 . . . . 1.0 109.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -81.27 -23.85 37.68 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.664 -0.865 . . . . 1.0 108.664 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -102.06 -7.19 22.52 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.841 0.713 . . . . 1.0 109.449 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -110.51 -72.27 0.73 Allowed 'General case' 0 N--CA 1.503 2.198 0 CA-C-N 115.132 -0.94 . . . . 1.0 109.719 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -108.45 42.07 1.46 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.58 -1.191 . . . . 1.0 111.093 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 16.51 58.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.343 1.979 . . . . 1.0 116.343 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -140.44 161.85 36.72 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 112.288 -2.233 . . . . 1.0 108.559 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -120.35 18.72 12.18 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.923 0.868 . . . . 1.0 108.669 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.6 mpt_? -114.79 78.25 1.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.343 -1.753 . . . . 1.0 110.281 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.72 166.95 21.72 Favored Glycine 0 N--CA 1.483 1.83 0 CA-C-N 114.327 -1.306 . . . . 1.0 111.662 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -134.67 139.97 45.67 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 114.05 -1.075 . . . . 1.0 108.903 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.8 t -105.47 154.39 20.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 112.625 0.602 . . . . 1.0 112.625 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 ptm -177.03 143.83 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.75 1.282 . . . . 1.0 108.621 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 35.31 65.89 0.36 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 124.709 1.256 . . . . 1.0 109.355 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.85 44.11 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 112.739 -2.028 . . . . 1.0 113.315 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -140.0 145.51 37.89 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 111.537 -2.574 . . . . 1.0 106.042 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -112.87 151.68 30.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.835 0.826 . . . . 1.0 111.856 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.98 146.62 47.46 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.007 -1.906 . . . . 1.0 106.953 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.0 m -128.25 163.96 23.6 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 124.018 0.824 . . . . 1.0 109.426 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -115.55 163.91 15.08 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.556 -0.905 . . . . 1.0 108.556 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.494 1.767 0 O-C-N 124.238 0.961 . . . . 1.0 109.343 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 108.514 -0.921 . . . . 1.0 108.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -19.19 138.81 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 115.988 1.847 . . . . 1.0 115.988 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.403 HG21 ' SG ' ' A' ' 35' ' ' CYS . 36.7 p -120.56 174.65 6.43 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 114.87 -1.059 . . . . 1.0 110.998 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -117.34 39.6 3.25 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 113.037 -1.892 . . . . 1.0 108.011 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -110.46 167.71 10.0 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 112.912 -1.949 . . . . 1.0 107.289 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m -104.39 159.05 16.04 Favored 'General case' 0 C--N 1.309 -1.172 0 O-C-N 124.206 0.942 . . . . 1.0 112.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 27.8 p -142.58 170.21 16.13 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.393 -1.73 . . . . 1.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 m -119.69 -44.83 2.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 103.032 -2.951 . . . . 1.0 103.032 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.72 17.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.368 -1.742 . . . . 1.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.4 t -72.76 -44.72 61.26 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -52.21 -31.99 34.49 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 112.108 -2.315 . . . . 1.0 110.057 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -85.94 -37.95 18.5 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 113.255 -1.793 . . . . 1.0 108.381 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 t -56.0 -30.0 61.17 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 124.346 1.029 . . . . 1.0 108.953 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.0 m0 -58.37 -47.41 83.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 124.293 0.996 . . . . 1.0 109.106 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -57.7 -46.05 84.88 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 113.953 -1.476 . . . . 1.0 109.606 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.48 -42.17 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-N 114.408 -1.269 . . . . 1.0 108.68 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.1 m -72.94 -24.38 60.79 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 25.3 ttpp -74.56 -29.23 61.27 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 123.886 0.741 . . . . 1.0 109.144 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.443 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.5 ptp180 -99.62 -6.1 27.88 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.623 0.577 . . . . 1.0 110.675 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -110.91 -71.3 0.77 Allowed 'General case' 0 N--CA 1.504 2.269 0 O-C-N 124.232 0.957 . . . . 1.0 109.327 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -107.3 38.28 2.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.596 1.185 . . . . 1.0 113.254 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.451 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 0.2 OUTLIER 25.95 45.42 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 125.913 1.685 . . . . 1.0 114.86 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -134.98 163.4 29.95 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.586 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -121.83 20.64 10.86 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 114.573 -1.194 . . . . 1.0 108.621 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -113.15 72.67 0.78 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 113.372 -1.74 . . . . 1.0 109.44 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.58 163.95 23.13 Favored Glycine 0 N--CA 1.481 1.68 0 CA-C-N 113.991 -1.458 . . . . 1.0 112.538 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -131.39 146.68 52.38 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 113.81 -1.195 . . . . 1.0 111.276 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.82 126.5 51.96 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.909 0.756 . . . . 1.0 111.316 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.9 ptm -141.23 136.36 31.61 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.883 -1.525 . . . . 1.0 106.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.26 63.3 0.43 Allowed 'General case' 0 N--CA 1.507 2.423 0 O-C-N 124.576 1.173 . . . . 1.0 109.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 33.08 46.45 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 112.102 -2.317 . . . . 1.0 113.563 -179.412 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 94.5 mttt -136.9 148.78 47.24 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 111.807 -2.451 . . . . 1.0 105.293 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.74 151.06 24.92 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 122.274 1.035 . . . . 1.0 113.075 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.22 140.45 53.01 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 104.488 -2.412 . . . . 1.0 104.488 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.403 ' SG ' HG21 ' A' ' 3' ' ' THR . 58.5 m -129.76 155.48 45.87 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.691 -0.855 . . . . 1.0 108.691 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.23 168.55 12.3 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 116.213 -1.851 . . . . 1.0 110.199 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 112.481 0.549 . . . . 1.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -38.9 149.09 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 O-C-N 124.49 1.119 . . . . 1.0 111.937 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.0 p -122.73 173.46 7.73 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.999 0.904 . . . . 1.0 111.285 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -118.39 35.25 4.84 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 112.517 -2.129 . . . . 1.0 108.059 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.75 162.31 17.47 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 104.582 -2.377 . . . . 1.0 104.582 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.501 ' HG ' ' H ' ' A' ' 7' ' ' CYS . 36.9 t -101.83 158.82 15.85 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 122.619 1.199 . . . . 1.0 112.499 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.501 ' H ' ' HG ' ' A' ' 6' ' ' SER . 24.9 p -137.0 168.81 18.88 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 111.655 -2.521 . . . . 1.0 109.927 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -115.42 -45.09 2.94 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 102.492 -3.151 . . . . 1.0 102.492 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.76 168.98 19.44 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.217 -1.811 . . . . 1.0 109.598 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -57.81 -44.67 86.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.473 -1.677 . . . . 1.0 106.473 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -46.05 -34.91 4.43 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 111.579 -2.555 . . . . 1.0 112.607 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -92.06 -32.87 15.01 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 113.732 -1.577 . . . . 1.0 109.803 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 27.1 t -58.6 -32.39 68.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 124.103 0.877 . . . . 1.0 109.525 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.08 -46.12 71.95 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 114.196 -1.366 . . . . 1.0 109.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.0 -42.76 80.89 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 113.341 -1.754 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.74 -50.92 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.5 m -61.77 -25.26 67.36 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 123.836 0.71 . . . . 1.0 111.242 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 25.2 ttpp -76.0 -32.46 59.43 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 124.099 0.874 . . . . 1.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.439 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.3 ptp180 -98.16 -1.3 42.51 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 120.425 -0.51 . . . . 1.0 111.277 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -111.93 -68.65 0.92 Allowed 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.767 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -117.72 46.7 1.69 Allowed 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 114.285 -1.325 . . . . 1.0 112.114 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.5 t30 19.49 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 p -132.79 161.56 33.77 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.59 -1.641 . . . . 1.0 110.299 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -122.77 1.59 9.39 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 114.512 -1.222 . . . . 1.0 109.981 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -105.04 74.72 1.13 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 122.292 1.044 . . . . 1.0 111.606 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.96 172.3 19.08 Favored Glycine 0 N--CA 1.481 1.696 0 CA-C-N 113.157 -1.838 . . . . 1.0 109.076 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -134.79 157.39 46.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 124.156 0.562 . . . . 1.0 110.728 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.08 145.57 29.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 124.004 0.815 . . . . 1.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ptm -157.2 135.02 10.84 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 114.509 -1.223 . . . . 1.0 108.592 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 25.15 70.53 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 CA-C-O 124.031 1.872 . . . . 1.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 34.11 47.23 0.18 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.131 -3.668 . . . . 1.0 114.593 -179.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' CB ' ' HZ1' ' A' ' 32' ' ' LYS . 9.2 mtmp? -144.51 148.47 34.53 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 111.508 -2.587 . . . . 1.0 106.364 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.5 t -106.08 149.16 26.99 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.388 0.884 . . . . 1.0 113.388 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.76 151.6 50.17 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.603 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 m -124.7 151.32 45.14 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 107.929 -1.138 . . . . 1.0 107.929 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -100.97 -34.56 9.72 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.493 1.682 0 CA-C-N 114.405 -1.27 . . . . 1.0 109.011 179.716 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 121.238 0.542 . . . . 1.0 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -19.0 133.69 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 N-CA-C 117.825 2.528 . . . . 1.0 117.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 p -137.07 178.5 7.03 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 113.519 -1.673 . . . . 1.0 110.437 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -111.46 41.97 1.78 Allowed 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.192 -2.151 . . . . 1.0 105.192 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.69 163.04 12.81 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 104.764 -2.31 . . . . 1.0 104.764 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -106.86 162.6 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 114.534 1.309 . . . . 1.0 114.534 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 p -138.96 175.01 9.91 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 112.149 -2.296 . . . . 1.0 110.618 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.7 m -123.46 -46.98 2.0 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 101.418 -3.549 . . . . 1.0 101.418 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.01 170.6 15.75 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 112.946 -1.934 . . . . 1.0 109.603 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -75.64 -46.19 32.97 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 104.838 -2.282 . . . . 1.0 104.838 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -52.68 -33.26 46.58 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 111.925 -2.398 . . . . 1.0 109.273 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -83.38 -39.06 21.15 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.178 -1.828 . . . . 1.0 107.947 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.7 t -54.5 -29.7 51.06 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 124.295 0.997 . . . . 1.0 109.418 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -57.45 -49.82 75.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 124.408 1.067 . . . . 1.0 108.772 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -58.01 -46.31 85.47 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.291 -1.777 . . . . 1.0 109.791 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.59 -40.32 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-N 114.515 -1.221 . . . . 1.0 108.977 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.15 -26.09 61.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 124.011 0.819 . . . . 1.0 110.77 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -75.51 -30.52 59.85 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.078 -0.965 . . . . 1.0 110.128 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -100.88 13.04 36.37 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.101 0.953 . . . . 1.0 110.557 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -113.76 -71.99 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 112.863 -1.971 . . . . 1.0 108.815 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -130.49 51.61 2.1 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.954 -1.93 . . . . 1.0 110.268 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 26.44 52.28 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 115.45 1.648 . . . . 1.0 115.45 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -126.58 158.62 35.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.954 -1.475 . . . . 1.0 111.481 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.83 10.54 4.68 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.125 -0.943 . . . . 1.0 112.03 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.483 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 1.1 mpt_? -110.94 67.16 0.64 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.87 0.843 . . . . 1.0 111.86 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.51 167.06 17.98 Favored Glycine 0 N--CA 1.483 1.817 0 CA-C-N 113.6 -1.636 . . . . 1.0 111.869 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -136.82 164.08 29.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.029 -1.1 . . . . 1.0 108.029 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -100.69 126.7 47.24 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 47.5 mtp -124.15 107.67 11.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.549 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 42.41 57.45 3.39 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 122.899 1.333 . . . . 1.0 110.355 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.25 31.54 20.24 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.965 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.91 110.74 11.0 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 106.631 -1.618 . . . . 1.0 106.631 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.43 134.26 52.14 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 119.534 -0.867 . . . . 1.0 108.928 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 132.09 54.78 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 105.141 -2.17 . . . . 1.0 105.141 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.6 m -113.03 138.53 49.75 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 105.357 -2.09 . . . . 1.0 105.357 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.55 -65.33 1.17 Allowed 'General case' 0 C--N 1.309 -1.178 0 O-C-N 123.914 0.759 . . . . 1.0 110.658 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.421 ' HG ' HH11 ' A' ' 25' ' ' ARG . 27.9 t . . . . . 0 N--CA 1.499 1.982 0 CA-C-O 117.01 -1.471 . . . . 1.0 110.399 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 121.588 0.709 . . . . 1.0 111.782 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -55.59 155.9 5.19 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 114.182 -1.372 . . . . 1.0 111.994 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.2 p -123.8 176.39 6.31 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 123.826 0.704 . . . . 1.0 109.406 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -113.01 35.95 3.71 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 113.491 -1.686 . . . . 1.0 106.899 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -113.58 165.03 12.91 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 113.874 -1.512 . . . . 1.0 108.426 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -105.24 158.37 16.65 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 124.223 0.952 . . . . 1.0 113.495 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 170.37 15.83 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 113.121 -1.854 . . . . 1.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.0 m -119.83 -45.0 2.5 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 102.954 -2.98 . . . . 1.0 102.954 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.09 169.37 17.92 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 113.332 -1.758 . . . . 1.0 110.599 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -45.45 65.4 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 104.033 -2.58 . . . . 1.0 104.033 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -48.37 -31.97 6.89 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 111.92 -2.4 . . . . 1.0 111.131 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.69 -37.15 14.79 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 112.869 -1.969 . . . . 1.0 108.882 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -55.34 -29.8 59.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 124.308 1.005 . . . . 1.0 109.052 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -59.58 -48.64 80.88 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 114.29 -1.323 . . . . 1.0 108.706 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -54.6 -43.83 72.51 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.057 -1.429 . . . . 1.0 109.473 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.36 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-N 114.239 -1.346 . . . . 1.0 108.325 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.93 -20.44 63.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 124.09 0.869 . . . . 1.0 111.528 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.49 -29.38 37.37 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 124.143 0.902 . . . . 1.0 109.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -99.91 2.63 43.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 123.746 0.654 . . . . 1.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mp -111.59 -69.85 0.84 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 113.98 -1.464 . . . . 1.0 108.65 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -126.87 55.47 1.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 113.472 -1.695 . . . . 1.0 112.042 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 17.72 50.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 118.422 2.749 . . . . 1.0 118.422 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -129.56 159.61 35.81 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 113.68 -1.6 . . . . 1.0 111.435 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -123.19 16.5 9.89 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 113.715 -1.584 . . . . 1.0 108.343 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.5 mpt_? -112.98 74.01 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.771 -1.559 . . . . 1.0 110.468 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.33 168.04 20.34 Favored Glycine 0 N--CA 1.482 1.71 0 CA-C-N 113.634 -1.621 . . . . 1.0 111.613 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -133.71 144.84 49.38 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 114.201 -1.0 . . . . 1.0 111.081 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -104.16 122.0 44.43 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 123.955 0.785 . . . . 1.0 110.995 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.7 mtm -133.48 130.43 38.57 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 106.388 -1.708 . . . . 1.0 106.388 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.7 t30 34.1 66.25 0.27 Allowed 'General case' 0 N--CA 1.505 2.285 0 O-C-N 124.829 1.331 . . . . 1.0 109.392 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 35.69 43.49 0.17 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 111.505 -2.589 . . . . 1.0 114.595 -179.603 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -134.63 147.61 50.21 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 104.552 -2.388 . . . . 1.0 104.552 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.19 152.95 22.81 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.026 1.121 . . . . 1.0 114.026 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.2 147.41 50.57 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 113.143 -1.844 . . . . 1.0 107.406 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.1 m -128.47 164.48 22.66 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.564 -0.902 . . . . 1.0 108.564 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -108.56 -28.85 9.07 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.687 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.503 2.207 0 O-C-N 125.425 1.703 . . . . 1.0 115.504 179.678 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -54.49 157.67 2.78 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 114.798 -1.092 . . . . 1.0 111.248 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -122.76 176.29 6.05 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.441 0.639 . . . . 1.0 109.769 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -114.97 32.44 6.03 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 113.574 -1.648 . . . . 1.0 107.765 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -114.23 164.98 13.16 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 113.747 -1.57 . . . . 1.0 109.235 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -101.44 163.64 12.17 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.797 -1.092 . . . . 1.0 112.681 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.1 p -137.83 168.27 20.03 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.33 -1.759 . . . . 1.0 110.799 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -121.04 -48.03 2.25 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 102.302 -3.221 . . . . 1.0 102.302 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.46 166.06 26.75 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.03 -1.896 . . . . 1.0 108.54 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.6 t -58.38 -44.46 88.9 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 106.384 -1.71 . . . . 1.0 106.384 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.406 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.2 t-20 -49.07 -38.76 25.27 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 111.643 -2.526 . . . . 1.0 111.491 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.35 -32.57 26.17 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.189 -1.369 . . . . 1.0 109.907 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.12 -34.48 72.09 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.409 -0.96 . . . . 1.0 108.409 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 30.2 m0 -55.63 -41.43 73.53 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.743 -1.117 . . . . 1.0 109.946 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -57.63 -43.13 84.6 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.203 -1.362 . . . . 1.0 110.107 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -63.64 -53.47 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 106.225 -1.769 . . . . 1.0 106.225 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.1 m -50.66 -33.97 24.64 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.866 -1.061 . . . . 1.0 111.265 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmpt? -74.68 -35.68 62.78 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.619 -1.628 . . . . 1.0 111.825 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -97.29 3.77 51.12 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.127 0.489 . . . . 1.0 111.807 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -111.25 -65.06 1.21 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 114.377 -1.283 . . . . 1.0 108.326 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -131.91 52.91 2.03 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.992 -1.458 . . . . 1.0 111.869 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 18.87 55.15 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.411 2.004 . . . . 1.0 116.411 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -129.03 163.19 25.93 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.201 -1.818 . . . . 1.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.477 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 16.1 t30 -129.94 13.02 5.76 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.534 -1.212 . . . . 1.0 110.181 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.477 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.19 72.79 0.95 Allowed 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.177 -1.374 . . . . 1.0 111.083 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.79 166.52 22.53 Favored Glycine 0 N--CA 1.484 1.85 0 CA-C-N 115.121 -0.945 . . . . 1.0 112.886 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -133.37 155.22 49.86 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 114.112 -1.044 . . . . 1.0 110.575 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -106.83 116.82 32.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 124.696 1.248 . . . . 1.0 111.158 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.7 mtm -132.21 126.4 33.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 124.148 0.905 . . . . 1.0 108.572 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 39.91 59.27 1.96 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 122.577 1.18 . . . . 1.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt 46.0 37.75 4.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 112.232 -2.258 . . . . 1.0 114.053 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.77 153.94 50.74 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.764 -1.939 . . . . 1.0 105.764 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.0 t -110.73 145.27 38.36 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.786 -0.766 . . . . 1.0 112.684 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -125.47 131.88 52.78 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.857 -2.275 . . . . 1.0 104.857 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 64.1 m -121.44 165.54 15.43 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.182 0.515 . . . . 1.0 111.349 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -117.68 -165.75 1.12 Allowed 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.537 -1.211 . . . . 1.0 108.456 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.3 m . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 116.474 -1.727 . . . . 1.0 109.294 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.539 ' H ' HH22 ' A' ' 34' ' ' ARG . . . . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -47.48 154.66 0.42 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 113.863 -1.517 . . . . 1.0 111.826 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.0 p -123.35 172.25 8.81 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -117.01 37.83 3.71 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.341 -1.3 . . . . 1.0 108.728 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -116.58 165.72 12.93 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 113.833 -1.531 . . . . 1.0 107.815 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 67.2 m -98.41 163.22 12.78 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 112.069 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.0 p -139.19 168.89 18.82 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.766 -1.561 . . . . 1.0 111.225 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -119.48 -47.81 2.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.318 -3.215 . . . . 1.0 102.318 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.54 168.92 20.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.002 -1.908 . . . . 1.0 109.327 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -57.91 -43.19 86.05 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 106.922 -1.51 . . . . 1.0 106.922 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 24.1 t-20 -49.23 -39.23 29.25 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 111.928 -2.396 . . . . 1.0 111.403 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -33.97 27.16 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.247 -1.342 . . . . 1.0 109.371 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 42.9 t -58.61 -33.6 70.19 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 123.918 0.761 . . . . 1.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.403 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 29.2 m0 -55.63 -43.5 76.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 124.066 0.854 . . . . 1.0 109.219 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 t -58.98 -44.2 91.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 113.806 -1.543 . . . . 1.0 109.746 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.75 -47.6 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 m -58.03 -37.79 75.02 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 114.393 -1.276 . . . . 1.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HZ2' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -72.48 -35.79 68.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 113.389 -1.732 . . . . 1.0 114.371 -179.728 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.446 HH11 ' HZ2' ' A' ' 18' ' ' LYS . 12.4 ptp180 -91.42 -0.85 57.69 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.974 0.731 . . . . 1.0 112.974 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.99 -69.41 0.87 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.541 -1.281 . . . . 1.0 107.541 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -125.5 54.68 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.894 -1.503 . . . . 1.0 113.206 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.2 t30 18.71 48.02 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 116.972 2.212 . . . . 1.0 116.972 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -118.23 162.75 17.74 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 113.678 -1.601 . . . . 1.0 109.596 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.411 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 10.1 t30 -133.42 24.52 4.11 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HD2' ' H ' ' A' ' 24' ' ' ASN . 1.2 mpt_? -112.32 67.59 0.66 Allowed 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 114.006 -1.452 . . . . 1.0 111.6 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.97 164.06 21.42 Favored Glycine 0 N--CA 1.484 1.883 0 CA-C-N 115.274 -0.876 . . . . 1.0 114.289 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 13.9 ptmm? -137.26 158.38 44.55 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.22 -1.49 . . . . 1.0 109.292 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -107.52 132.16 53.54 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.619 0.97 . . . . 1.0 113.619 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptp -145.42 133.17 21.08 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.896 -1.52 . . . . 1.0 106.896 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.52 64.34 0.4 Allowed 'General case' 0 N--CA 1.508 2.436 0 O-C-N 124.293 0.996 . . . . 1.0 109.484 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.85 44.81 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 112.129 -2.305 . . . . 1.0 113.978 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -137.3 147.99 46.04 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 111.582 -2.554 . . . . 1.0 105.147 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.7 t -105.64 143.26 34.05 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.885 -0.726 . . . . 1.0 112.882 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.539 HH22 ' H ' ' A' ' 1' ' ' PCA . 0.0 OUTLIER -125.48 115.42 20.21 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.006 -2.22 . . . . 1.0 105.006 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.4 m -110.82 164.67 12.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 123.992 0.808 . . . . 1.0 112.368 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -116.78 -165.93 1.11 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.925 -1.489 . . . . 1.0 108.921 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.6 p . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 115.916 -1.992 . . . . 1.0 110.68 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 107.317 -1.364 . . . . 1.0 107.317 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.41 ' HA ' ' H ' ' A' ' 35' ' ' CYS . 64.3 t80 -11.72 133.22 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.532 0 N-CA-C 117.47 2.396 . . . . 1.0 117.47 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.404 HG21 ' SG ' ' A' ' 35' ' ' CYS . 33.3 p -121.16 166.07 14.48 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 113.845 -1.525 . . . . 1.0 109.436 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.67 39.67 2.77 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 113.435 -1.711 . . . . 1.0 107.937 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.76 165.39 12.09 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 105.745 -1.946 . . . . 1.0 105.745 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -100.28 161.49 13.57 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.644 0.735 . . . . 1.0 111.938 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 30.5 p -138.16 170.79 15.41 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 113.401 -1.727 . . . . 1.0 110.571 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.5 m -122.1 -45.86 2.22 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 102.322 -3.214 . . . . 1.0 102.322 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.62 167.2 22.15 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.285 -1.78 . . . . 1.0 110.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 t -67.67 -45.08 76.26 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 104.795 -2.298 . . . . 1.0 104.795 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -50.81 -32.87 21.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 111.66 -2.518 . . . . 1.0 110.37 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -85.45 -36.46 20.59 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.441 -1.709 . . . . 1.0 108.736 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 t -56.62 -31.38 64.26 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.436 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.8 m0 -56.37 -44.71 80.42 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.42 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.9 t -58.63 -43.36 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 113.914 -1.494 . . . . 1.0 110.205 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.96 -51.24 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.774 -1.195 . . . . 1.0 107.774 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.33 -33.81 69.92 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.393 -1.276 . . . . 1.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' NZ ' HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -70.97 -37.12 72.77 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 114.625 -1.17 . . . . 1.0 110.99 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.448 HH21 ' NZ ' ' A' ' 18' ' ' LYS . 12.5 ptp180 -92.49 -5.55 51.61 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 120.448 -0.501 . . . . 1.0 111.499 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.0 -71.89 0.74 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.212 0.945 . . . . 1.0 110.037 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -110.22 42.56 1.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.273 0.983 . . . . 1.0 111.785 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.5 t30 22.01 51.21 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 115.924 1.824 . . . . 1.0 115.924 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 p -133.12 163.13 29.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.469 -1.696 . . . . 1.0 110.865 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.589 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 13.2 t-20 -127.23 15.21 7.25 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.075 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.589 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.04 65.6 0.62 Allowed 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.62 -1.173 . . . . 1.0 111.542 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.58 161.71 16.67 Favored Glycine 0 N--CA 1.483 1.775 0 CA-C-N 113.459 -1.7 . . . . 1.0 112.407 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 151.67 46.71 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.398 -1.401 . . . . 1.0 110.018 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.41 116.98 33.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.141 0.9 . . . . 1.0 109.52 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.2 mtp -133.08 128.76 36.9 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 123.902 0.751 . . . . 1.0 109.0 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 39.12 61.12 1.34 Allowed 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 123.026 1.393 . . . . 1.0 109.923 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HZ1' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 45.9 36.85 3.14 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 mtpm? -134.23 157.93 45.03 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.843 -1.54 . . . . 1.0 106.843 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.2 t -113.32 139.41 48.87 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.588 0.709 . . . . 1.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -121.91 134.66 54.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.543 -2.762 . . . . 1.0 103.543 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 55.8 m -121.88 160.86 23.88 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -118.22 161.26 20.19 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 123.817 0.698 . . . . 1.0 109.446 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 116.829 2.159 . . . . 1.0 116.829 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 107.707 -1.22 . . . . 1.0 107.707 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -17.39 137.09 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 116.592 2.071 . . . . 1.0 116.592 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 p -120.68 174.73 6.4 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.263 -1.335 . . . . 1.0 110.562 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -117.26 40.6 2.99 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 112.995 -1.912 . . . . 1.0 107.035 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -110.7 167.73 10.01 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 112.69 -2.05 . . . . 1.0 107.836 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -106.49 160.16 15.62 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 124.348 1.03 . . . . 1.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -141.79 169.75 17.01 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.433 -1.712 . . . . 1.0 111.302 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -119.28 -44.78 2.57 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 102.91 -2.996 . . . . 1.0 102.91 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.49 169.23 18.15 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 113.531 -1.668 . . . . 1.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -73.1 -44.62 60.1 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 104.726 -2.324 . . . . 1.0 104.726 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.415 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.4 t-20 -51.84 -32.2 30.83 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 112.083 -2.326 . . . . 1.0 110.167 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.04 -38.03 18.28 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.031 -1.895 . . . . 1.0 108.458 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 t -55.88 -30.96 62.36 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.277 0.986 . . . . 1.0 109.208 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.415 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 33.0 m0 -58.99 -46.66 87.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.78 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.3 t -58.32 -44.37 88.61 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 113.836 -1.529 . . . . 1.0 109.886 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.73 -46.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 124.653 1.221 . . . . 1.0 108.16 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.8 m -63.09 -33.77 76.17 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.052 -0.976 . . . . 1.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HZ2' HH21 ' A' ' 19' ' ' ARG . 6.7 ttpm? -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.438 HH21 ' HZ2' ' A' ' 18' ' ' LYS . 11.3 ptp180 -96.0 -5.48 41.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 123.611 0.569 . . . . 1.0 112.065 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.16 -71.5 0.76 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 124.227 0.954 . . . . 1.0 109.164 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -110.2 42.68 1.5 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 124.539 1.149 . . . . 1.0 112.289 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 23.02 46.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 117.095 2.257 . . . . 1.0 117.095 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -131.64 166.46 21.4 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.469 -1.241 . . . . 1.0 111.025 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.491 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 14.5 t30 -126.13 13.29 7.78 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.992 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -105.92 68.54 0.78 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 114.085 -1.416 . . . . 1.0 109.544 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.07 163.98 15.31 Favored Glycine 0 N--CA 1.483 1.822 0 CA-C-N 114.599 -1.182 . . . . 1.0 114.085 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -135.27 145.88 48.0 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 113.331 -1.434 . . . . 1.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -104.14 127.05 51.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.488 0.493 . . . . 1.0 111.266 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptm -142.62 136.19 28.89 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.05 63.41 0.41 Allowed 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.661 1.226 . . . . 1.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.31 46.79 0.07 Allowed 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.743 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.89 149.0 47.38 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 111.496 -2.593 . . . . 1.0 105.139 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -110.2 144.33 39.02 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.373 1.249 . . . . 1.0 114.373 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -115.1 144.81 43.08 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 111.721 -2.491 . . . . 1.0 107.168 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.1 m -134.91 150.51 50.43 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 124.228 0.955 . . . . 1.0 108.601 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -123.64 -179.62 4.43 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 123.066 0.547 . . . . 1.0 110.79 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.463 ' HG ' HH11 ' A' ' 25' ' ' ARG . 72.5 p . . . . . 0 N--CA 1.503 2.183 0 N-CA-C 116.22 1.933 . . . . 1.0 116.22 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 119.379 -0.343 . . . . 1.0 110.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -15.66 132.59 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.258 0 O-C-N 125.152 1.533 . . . . 1.0 114.606 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.481 HG21 ' SG ' ' A' ' 35' ' ' CYS . 44.3 p -115.22 172.4 7.1 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 115.415 -0.811 . . . . 1.0 110.507 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -118.84 39.29 3.55 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 112.974 -1.921 . . . . 1.0 108.544 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.45 163.15 13.46 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 104.112 -2.551 . . . . 1.0 104.112 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -93.11 159.34 15.33 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.677 0.751 . . . . 1.0 111.956 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.6 p -137.47 165.57 25.95 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 113.141 -1.845 . . . . 1.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -119.42 -47.35 2.45 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.584 -3.117 . . . . 1.0 102.584 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.72 168.95 19.48 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.078 -1.874 . . . . 1.0 109.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 t -62.11 -43.25 99.25 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.101 -1.814 . . . . 1.0 106.101 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -48.35 -33.31 8.78 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 111.988 -2.369 . . . . 1.0 111.985 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -91.47 -34.17 14.92 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.209 -1.36 . . . . 1.0 109.024 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.71 -32.66 65.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 1.0 109.115 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -57.19 -46.1 83.13 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.37 -1.286 . . . . 1.0 109.484 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -56.36 -44.61 80.27 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 125.136 1.523 . . . . 1.0 110.678 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.31 -52.0 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 124.66 1.225 . . . . 1.0 107.889 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.423 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 63.4 m -64.36 -21.9 66.78 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.581 -1.19 . . . . 1.0 111.685 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 25.1 ttpp -78.96 -32.2 45.3 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 124.055 0.847 . . . . 1.0 110.093 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.426 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.5 ptp180 -98.34 -1.15 42.37 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 123.618 0.574 . . . . 1.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -111.45 -70.29 0.82 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 114.525 -1.216 . . . . 1.0 108.937 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -119.34 48.12 1.56 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.362 1.038 . . . . 1.0 111.913 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 13.87 59.02 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 7.8 t -137.41 160.73 38.26 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 112.436 -2.165 . . . . 1.0 108.266 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -124.22 20.73 8.92 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 114.854 -1.066 . . . . 1.0 108.625 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -114.05 67.82 0.68 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 113.484 -1.689 . . . . 1.0 110.673 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.69 166.84 22.9 Favored Glycine 0 N--CA 1.482 1.728 0 CA-C-N 114.108 -1.406 . . . . 1.0 110.594 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -136.42 157.94 45.6 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 114.57 -0.815 . . . . 1.0 112.402 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.1 t -103.01 125.16 49.65 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 114.53 -1.214 . . . . 1.0 112.617 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.6 mtm -141.6 139.02 33.01 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 106.272 -1.751 . . . . 1.0 106.272 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.4 t30 33.97 60.26 0.54 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 123.473 1.606 . . . . 1.0 112.227 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 tptm 43.13 36.37 0.96 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 111.491 -2.595 . . . . 1.0 114.808 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 22.2 pttm -139.57 156.33 46.95 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.4 -1.704 . . . . 1.0 106.4 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -123.11 145.11 48.85 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.297 -2.229 . . . . 1.0 106.617 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 3' ' ' THR . 38.3 m -123.63 163.58 20.77 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.372 -0.973 . . . . 1.0 108.372 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -111.1 84.65 1.97 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.077 1.51 . . . . 1.0 115.077 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.505 2.316 0 CA-C-O 116.038 -1.934 . . . . 1.0 114.026 179.629 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 114.063 1.134 . . . . 1.0 114.063 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -48.14 158.56 0.24 Allowed 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 114.643 -1.162 . . . . 1.0 111.9 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -122.74 176.8 5.76 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.769 0.795 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -114.82 38.46 3.13 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 113.078 -1.874 . . . . 1.0 106.257 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -114.89 166.0 12.24 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.5 -1.682 . . . . 1.0 108.646 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -106.3 160.52 15.3 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.443 1.089 . . . . 1.0 111.771 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.37 167.33 21.81 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 112.725 -2.034 . . . . 1.0 110.656 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.8 m -117.75 -47.14 2.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 102.206 -3.257 . . . . 1.0 102.206 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.31 167.5 22.29 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.085 -1.871 . . . . 1.0 108.919 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -63.07 -44.23 96.36 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.459 -1.682 . . . . 1.0 106.459 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -48.12 -38.26 17.34 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 112.03 -2.35 . . . . 1.0 111.676 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.55 -35.33 22.91 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.112 -1.403 . . . . 1.0 108.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.41 -29.8 64.41 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 124.052 0.845 . . . . 1.0 109.312 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 32.7 m0 -59.3 -48.48 81.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.239 0.962 . . . . 1.0 108.585 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -55.85 -45.25 78.51 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 113.97 -1.468 . . . . 1.0 109.754 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.61 -44.52 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-N 114.334 -1.303 . . . . 1.0 108.513 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.2 m -73.34 -18.43 61.19 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -81.31 -27.59 34.96 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.928 0.768 . . . . 1.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -100.18 -7.07 25.18 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.837 0.711 . . . . 1.0 109.904 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 7.0 mp -110.79 -71.53 0.76 Allowed 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.33 1.019 . . . . 1.0 109.903 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.412 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 16.6 m170 -107.57 40.36 1.72 Allowed 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.369 -1.287 . . . . 1.0 111.928 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 17.4 56.57 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 116.414 2.005 . . . . 1.0 116.414 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.2 t -139.26 166.43 24.55 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.832 -1.985 . . . . 1.0 108.989 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 21.2 t30 -120.57 8.21 10.67 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.16 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.435 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.24 80.17 1.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.452 -1.249 . . . . 1.0 109.6 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.53 165.09 20.76 Favored Glycine 0 N--CA 1.482 1.754 0 CA-C-N 114.654 -1.157 . . . . 1.0 111.834 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -132.96 143.38 49.42 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 114.172 -1.014 . . . . 1.0 111.297 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -101.57 122.47 43.9 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.503 0.502 . . . . 1.0 109.975 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -139.88 134.61 31.88 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.922 -1.14 . . . . 1.0 107.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 34.09 63.2 0.42 Allowed 'General case' 0 N--CA 1.507 2.405 0 O-C-N 124.683 1.239 . . . . 1.0 109.345 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 33.9 47.02 0.16 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 112.112 -2.313 . . . . 1.0 113.388 -179.44 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -137.76 150.44 47.26 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-N 111.838 -2.437 . . . . 1.0 105.234 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.31 146.52 32.82 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.787 1.402 . . . . 1.0 114.787 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.3 tpt180 -118.11 147.79 42.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 112.587 -2.097 . . . . 1.0 108.087 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.408 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 39.7 m -130.08 153.45 48.46 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.772 -1.195 . . . . 1.0 107.772 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 37' ' ' SER . 19.0 m-85 -116.01 173.77 6.39 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 36' ' ' TYR . 31.5 m . . . . . 0 N--CA 1.5 2.028 0 O-C-N 125.814 1.946 . . . . 1.0 108.791 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 111.344 0.127 . . . . 1.0 111.344 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' H ' HH11 ' A' ' 34' ' ' ARG . 54.1 t80 -23.79 140.3 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 115.562 1.69 . . . . 1.0 115.562 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -124.94 -176.38 3.54 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 114.67 -1.15 . . . . 1.0 111.993 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -111.6 36.21 3.35 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 112.44 -2.164 . . . . 1.0 108.188 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -102.5 158.49 16.18 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 105.074 -2.195 . . . . 1.0 105.074 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -98.63 158.5 15.57 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 116.426 2.01 . . . . 1.0 116.426 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 23.0 p -137.84 167.36 21.89 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 112.883 -1.962 . . . . 1.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -118.28 -47.62 2.55 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 102.355 -3.202 . . . . 1.0 102.355 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.54 168.27 21.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 112.751 -2.022 . . . . 1.0 108.173 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -43.78 94.04 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 105.436 -2.061 . . . . 1.0 105.436 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -47.66 -34.15 7.7 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 111.657 -2.52 . . . . 1.0 111.671 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -34.66 14.67 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.221 -1.354 . . . . 1.0 108.528 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.9 t -56.94 -25.63 57.98 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.388 1.055 . . . . 1.0 109.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -65.64 -52.19 53.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.34 1.025 . . . . 1.0 108.571 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 t -54.34 -41.96 69.7 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 114.322 -1.308 . . . . 1.0 109.606 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -66.63 -46.68 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 113.861 -1.518 . . . . 1.0 107.613 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 69.2 m -65.39 -20.59 66.44 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 124.267 0.979 . . . . 1.0 112.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -72.06 -36.99 69.72 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 105.66 -1.978 . . . . 1.0 105.66 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -99.46 9.23 43.64 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.796 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -114.04 -69.38 0.86 Allowed 'General case' 0 N--CA 1.504 2.24 0 CA-C-N 114.246 -1.343 . . . . 1.0 108.927 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.74 45.35 2.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 18.97 59.48 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.985 1.846 . . . . 1.0 115.985 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 t -141.2 166.65 24.2 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 112.279 -2.237 . . . . 1.0 109.444 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.472 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 11.3 t-20 -125.15 4.6 7.87 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 114.845 -1.07 . . . . 1.0 109.859 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -109.93 72.84 0.81 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.462 1.125 . . . . 1.0 108.943 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.28 169.09 14.85 Favored Glycine 0 N--CA 1.482 1.741 0 CA-C-N 112.881 -1.963 . . . . 1.0 110.785 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.82 148.2 52.31 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.6 t -102.78 122.07 43.74 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.033 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -138.01 133.21 33.33 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.534 -1.284 . . . . 1.0 107.534 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 34.08 65.72 0.3 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 124.662 1.226 . . . . 1.0 109.077 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.33 45.72 0.09 Allowed 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.163 -2.29 . . . . 1.0 113.946 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 43.5 mmtm -136.95 152.39 50.12 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 111.971 -2.377 . . . . 1.0 105.563 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 42.2 t -110.86 144.36 40.01 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.292 1.59 . . . . 1.0 115.292 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.485 HH11 ' H ' ' A' ' 2' ' ' PHE . 8.8 tpt180 -116.95 145.93 43.31 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 111.374 -2.648 . . . . 1.0 108.321 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.8 m -132.5 149.62 52.3 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 105.668 -1.975 . . . . 1.0 105.668 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.447 ' HH ' HH21 ' A' ' 34' ' ' ARG . 43.3 m-85 -122.46 -82.76 0.65 Allowed 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.241 0.46 . . . . 1.0 112.241 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 117.198 -1.382 . . . . 1.0 110.239 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.844 0.831 . . . . 1.0 110.405 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -53.45 161.57 0.96 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 113.873 -1.512 . . . . 1.0 112.217 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.3 p -124.45 177.29 5.98 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.921 0.867 . . . . 1.0 110.435 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -116.38 33.48 5.53 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 105.635 -1.987 . . . . 1.0 105.635 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.99 160.14 24.16 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 106.744 -1.576 . . . . 1.0 106.744 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 50.1 m -94.78 161.17 14.28 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 123.784 0.677 . . . . 1.0 112.488 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 20.5 p -138.57 166.22 24.88 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.263 -1.335 . . . . 1.0 110.767 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.7 m -120.12 -48.26 2.34 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 102.54 -3.133 . . . . 1.0 102.54 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.69 167.48 23.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 112.983 -1.917 . . . . 1.0 108.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -62.23 -41.91 98.84 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 105.866 -1.901 . . . . 1.0 105.866 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -49.47 -33.97 15.7 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 111.697 -2.501 . . . . 1.0 111.543 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -90.55 -33.87 15.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.335 -1.302 . . . . 1.0 108.972 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t -57.16 -32.71 66.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 124.246 0.966 . . . . 1.0 109.376 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -54.91 -47.7 74.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 114.597 -1.183 . . . . 1.0 109.795 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -53.37 -42.84 67.29 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 125.415 1.697 . . . . 1.0 111.105 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -66.3 -50.86 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 114.368 -1.287 . . . . 1.0 107.733 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 78.2 m -66.25 -15.84 63.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 124.286 0.991 . . . . 1.0 111.958 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -81.41 -29.85 33.76 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -102.81 5.18 38.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.826 0.704 . . . . 1.0 110.076 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -112.8 -66.24 1.1 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 114.14 -1.391 . . . . 1.0 109.007 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -127.2 48.09 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.488 -1.687 . . . . 1.0 111.538 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 16.84 57.64 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 113.399 -1.728 . . . . 1.0 115.449 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -137.25 163.7 30.3 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 112.691 -2.05 . . . . 1.0 111.013 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -126.9 20.26 7.04 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.681 -1.6 . . . . 1.0 107.361 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.451 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.62 66.28 0.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.201 -1.818 . . . . 1.0 109.017 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.63 165.68 20.61 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 113.485 -1.689 . . . . 1.0 111.491 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -135.07 155.36 50.86 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 114.095 -1.052 . . . . 1.0 112.159 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -103.46 129.18 50.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.6 ptm -143.83 137.69 28.15 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.871 -1.529 . . . . 1.0 106.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.407 HD21 ' HZ2' ' A' ' 32' ' ' LYS . 12.2 p-10 27.75 68.53 0.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 123.777 1.751 . . . . 1.0 110.681 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 33.44 44.87 0.07 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.572 -3.467 . . . . 1.0 114.514 -179.58 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 34.6 mtmm -143.49 155.48 44.36 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 112.188 -2.278 . . . . 1.0 107.608 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.3 t -103.67 152.99 21.15 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 117.019 2.229 . . . . 1.0 117.019 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -124.5 143.65 50.54 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 112.151 -2.295 . . . . 1.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.3 m -127.28 155.55 43.33 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 105.918 -1.882 . . . . 1.0 105.918 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -126.86 -62.44 1.12 Allowed 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 113.176 0.806 . . . . 1.0 113.176 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.496 1.863 0 O-C-N 123.99 0.806 . . . . 1.0 109.338 -179.849 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.421 ' N ' ' HB2' ' A' ' 35' ' ' CYS . . . . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.352 0.12 . . . . 1.0 110.821 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -25.89 138.23 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 125.379 1.674 . . . . 1.0 113.234 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 p -119.28 171.62 8.18 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.865 0.841 . . . . 1.0 110.546 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -118.86 38.23 3.86 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.706 -2.043 . . . . 1.0 108.463 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.63 159.69 20.17 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 104.931 -2.248 . . . . 1.0 104.931 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 m -96.05 159.58 14.89 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 121.825 0.821 . . . . 1.0 112.284 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.0 p -140.29 168.14 20.51 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.005 -1.907 . . . . 1.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -120.13 -44.07 2.51 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 103.58 -2.748 . . . . 1.0 103.58 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.26 168.39 19.26 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.448 -1.705 . . . . 1.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 t -71.27 -44.35 65.43 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 105.092 -2.188 . . . . 1.0 105.092 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.1 t-20 -51.64 -30.86 23.17 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 112.379 -2.191 . . . . 1.0 110.385 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -88.3 -36.26 16.77 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.3 -1.773 . . . . 1.0 108.64 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -56.46 -32.54 65.06 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 124.064 0.852 . . . . 1.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.413 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.2 m0 -54.8 -46.29 74.48 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 114.59 -1.186 . . . . 1.0 109.276 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.6 t -55.75 -41.33 73.8 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.327 -1.761 . . . . 1.0 110.309 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.22 -49.3 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 124.473 1.108 . . . . 1.0 108.011 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.72 -24.62 67.76 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.71 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -43.72 24.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 124.14 0.9 . . . . 1.0 111.44 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -82.95 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 120.127 -0.629 . . . . 1.0 112.476 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 10.4 mp -111.59 -64.94 1.22 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 124.113 0.883 . . . . 1.0 110.722 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.513 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 55.1 m-70 -109.85 37.51 2.64 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.573 -1.649 . . . . 1.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 23.5 49.58 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 116.106 1.891 . . . . 1.0 116.106 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 p -134.3 162.75 31.31 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 113.859 -1.518 . . . . 1.0 110.351 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' C ' ' HE ' ' A' ' 25' ' ' ARG . 20.6 t-20 -126.78 -0.58 6.69 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.406 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HE ' ' C ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -97.26 70.91 2.36 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.992 -179.743 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.83 168.92 15.12 Favored Glycine 0 N--CA 1.487 2.047 0 CA-C-N 114.496 -1.229 . . . . 1.0 112.563 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -131.36 147.08 52.53 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 114.079 -1.061 . . . . 1.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.16 135.9 44.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 123.967 0.792 . . . . 1.0 110.585 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.4 ptm -156.96 146.54 20.56 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.215 -1.402 . . . . 1.0 107.215 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.9 t30 32.88 58.52 0.44 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-O 123.365 1.555 . . . . 1.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 36.23 42.56 0.18 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.308 -2.678 . . . . 1.0 114.93 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -141.87 153.22 44.29 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.43 146.21 33.44 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 114.028 1.122 . . . . 1.0 114.028 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 1.1 tmt_? -126.94 154.43 44.52 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 112.894 -1.957 . . . . 1.0 107.049 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 1' ' ' PCA . 23.4 m -127.12 146.95 50.2 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.775 -1.195 . . . . 1.0 107.775 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.427 ' CE1' ' HD2' ' A' ' 34' ' ' ARG . 40.0 m-85 -111.25 -59.81 1.92 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.166 -1.049 . . . . 1.0 108.166 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 104.773 -2.306 . . . . 1.0 104.773 179.708 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 119.462 -0.304 . . . . 1.0 110.539 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -16.1 132.43 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.233 0 O-C-N 125.609 1.818 . . . . 1.0 114.7 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.413 HG21 ' SG ' ' A' ' 35' ' ' CYS . 36.2 p -116.31 169.34 9.37 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 122.128 0.965 . . . . 1.0 110.023 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -118.6 42.34 2.78 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 112.649 -2.069 . . . . 1.0 107.055 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -113.0 165.58 12.21 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 112.54 -2.118 . . . . 1.0 106.567 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -102.51 158.02 16.51 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.064 0.853 . . . . 1.0 111.619 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.0 p -143.57 169.41 17.77 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.823 -1.535 . . . . 1.0 111.329 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -118.73 -43.79 2.66 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 110.974 -2.83 . . . . 1.0 103.583 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.87 169.12 18.09 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.553 -1.658 . . . . 1.0 111.054 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.4 m -75.99 -43.62 43.57 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -53.39 -31.21 43.8 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 112.278 -2.237 . . . . 1.0 109.355 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -86.8 -38.09 17.19 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 113.077 -1.874 . . . . 1.0 107.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 t -55.25 -29.44 58.07 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 124.349 1.031 . . . . 1.0 109.114 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.403 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 37.9 m0 -59.88 -47.14 86.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 124.276 0.985 . . . . 1.0 109.16 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -57.31 -44.16 83.91 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 114.048 -1.433 . . . . 1.0 109.72 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -59.82 -50.81 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 CA-C-N 114.491 -1.232 . . . . 1.0 107.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -56.61 -34.83 67.61 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.484 -1.235 . . . . 1.0 111.365 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -72.3 -34.94 68.52 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.148 -1.387 . . . . 1.0 112.028 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -95.14 0.0 53.77 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 3.3 mp -111.7 -69.06 0.89 Allowed 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 114.548 -1.206 . . . . 1.0 109.811 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -121.76 48.32 1.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.605 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.2 t30 18.66 54.62 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 116.607 2.077 . . . . 1.0 116.607 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -128.69 163.95 24.0 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 112.841 -1.981 . . . . 1.0 110.084 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.457 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 23.0 t30 -130.26 -2.48 4.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 113.343 0.868 . . . . 1.0 113.343 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.58 74.67 1.02 Allowed 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.938 0.875 . . . . 1.0 111.525 -179.677 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 168.19 15.85 Favored Glycine 0 N--CA 1.483 1.789 0 CA-C-N 113.649 -1.614 . . . . 1.0 111.368 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -131.65 149.84 52.35 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 114.229 -0.986 . . . . 1.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.56 144.96 30.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 123.741 0.651 . . . . 1.0 110.639 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 ptp -167.77 151.06 6.01 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.15 -1.426 . . . . 1.0 107.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 31.08 61.16 0.24 Allowed 'General case' 0 N--CA 1.509 2.488 0 O-C-N 124.579 1.175 . . . . 1.0 110.407 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.35 43.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 111.706 -2.497 . . . . 1.0 114.209 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 58.4 pttt -141.59 152.13 43.77 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 111.621 -2.536 . . . . 1.0 105.75 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.909 0.862 . . . . 1.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.06 138.28 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.244 -2.132 . . . . 1.0 105.244 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' SG ' HG21 ' A' ' 3' ' ' THR . 40.2 m -128.71 156.91 42.75 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -109.62 168.74 9.18 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.107 -1.071 . . . . 1.0 108.107 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.503 2.192 0 O-C-N 125.529 1.768 . . . . 1.0 115.283 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -12.46 134.58 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 116.516 2.043 . . . . 1.0 116.516 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.453 HG21 ' SG ' ' A' ' 35' ' ' CYS . 23.0 p -117.22 174.47 6.1 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.236 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -119.75 41.48 3.14 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.388 -1.733 . . . . 1.0 107.637 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.49 164.12 14.42 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 105.585 -2.006 . . . . 1.0 105.585 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.499 ' HG ' ' H ' ' A' ' 7' ' ' CYS . 34.8 t -102.61 157.02 17.23 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 122.735 1.255 . . . . 1.0 113.624 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.499 ' H ' ' HG ' ' A' ' 6' ' ' SER . 23.7 p -146.81 168.26 21.86 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 111.891 -2.413 . . . . 1.0 109.435 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -115.01 -39.79 3.6 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 104.054 -2.573 . . . . 1.0 104.054 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.24 167.75 20.97 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 114.005 -1.452 . . . . 1.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 t -69.45 -42.59 74.72 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 105.842 -1.91 . . . . 1.0 105.842 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -48.76 -36.76 17.2 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 112.785 -2.007 . . . . 1.0 111.14 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.57 -35.55 19.41 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.076 -1.42 . . . . 1.0 108.57 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -55.9 -30.15 61.13 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 124.023 0.827 . . . . 1.0 109.45 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -61.01 -47.38 86.71 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 114.743 -1.117 . . . . 1.0 108.088 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -57.97 -43.55 86.57 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 114.248 -1.342 . . . . 1.0 109.533 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.24 -46.36 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 107.659 -1.237 . . . . 1.0 107.659 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.11 -23.85 64.05 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 115.175 -0.921 . . . . 1.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 25.1 ttpp -76.76 -28.71 55.81 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.837 0.711 . . . . 1.0 109.887 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.419 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.5 ptp180 -100.33 -5.31 27.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.641 0.588 . . . . 1.0 110.376 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -111.35 -71.97 0.74 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 124.412 1.07 . . . . 1.0 109.559 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -108.17 40.92 1.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.695 1.247 . . . . 1.0 111.663 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 18.17 58.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.49 2.033 . . . . 1.0 116.49 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 t -143.7 163.57 32.9 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 112.365 -2.198 . . . . 1.0 108.277 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.486 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 13.9 t30 -120.66 20.3 11.76 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.941 0.876 . . . . 1.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -111.83 83.98 1.88 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 113.29 -1.777 . . . . 1.0 109.306 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.76 165.31 23.89 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 114.343 -1.298 . . . . 1.0 112.312 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -133.74 132.86 41.07 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 113.749 -1.225 . . . . 1.0 108.611 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.28 151.76 23.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.216 0.821 . . . . 1.0 113.216 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptm -178.35 153.58 0.75 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 124.699 1.25 . . . . 1.0 108.029 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 33.35 56.74 0.51 Allowed 'General case' 0 N--CA 1.506 2.348 0 CA-C-O 122.655 1.217 . . . . 1.0 111.325 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 37.15 42.5 0.27 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.124 -2.307 . . . . 1.0 114.03 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 57.7 pttt -142.82 151.69 41.42 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 105.057 -2.201 . . . . 1.0 105.057 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.06 152.39 31.09 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.842 0.829 . . . . 1.0 113.042 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.0 149.88 42.85 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.644 -2.071 . . . . 1.0 107.24 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.453 ' SG ' HG21 ' A' ' 3' ' ' THR . 59.6 m -131.67 165.52 23.53 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.69 0.619 . . . . 1.0 110.24 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -115.19 169.28 9.23 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.218 -0.901 . . . . 1.0 108.729 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 117.298 -1.334 . . . . 1.0 111.204 -179.846 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -7.9 128.27 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 117.316 2.339 . . . . 1.0 117.316 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.2 p -126.84 -176.96 3.85 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 112.916 -1.947 . . . . 1.0 111.517 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.89 36.41 3.32 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 112.031 -2.349 . . . . 1.0 106.772 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -100.72 151.81 21.22 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 104.993 -2.225 . . . . 1.0 104.993 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 m -102.49 153.66 19.85 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.282 2.327 . . . . 1.0 117.282 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 p -140.55 169.73 17.1 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 111.546 -2.57 . . . . 1.0 109.879 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 m -117.88 -39.39 3.11 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 111.761 -2.472 . . . . 1.0 104.731 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.59 169.78 16.79 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 124.986 1.429 . . . . 1.0 111.843 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -78.24 -44.99 24.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.474 -2.417 . . . . 1.0 104.474 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -52.52 -32.24 39.44 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 112.134 -2.303 . . . . 1.0 109.305 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -86.45 -38.56 17.2 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 112.935 -1.939 . . . . 1.0 107.576 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.9 t -55.62 -26.27 43.25 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.214 0.947 . . . . 1.0 109.241 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -64.53 -51.8 61.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 124.198 0.936 . . . . 1.0 108.66 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.7 t -53.87 -45.66 71.08 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.803 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.6 mp -60.43 -43.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 CA-C-N 112.982 -1.917 . . . . 1.0 108.471 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.1 m -67.1 -28.78 68.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.124 0.89 . . . . 1.0 111.747 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -72.2 -29.34 63.89 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.203 -0.908 . . . . 1.0 109.414 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -103.14 8.45 38.63 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 121.593 0.711 . . . . 1.0 111.03 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.6 mp -113.49 -71.51 0.75 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-N 113.743 -1.571 . . . . 1.0 108.978 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -126.35 49.07 2.04 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 113.072 -1.876 . . . . 1.0 110.281 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 t30 22.92 50.1 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.541 2.052 . . . . 1.0 116.541 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -131.6 167.08 20.04 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.915 -1.493 . . . . 1.0 111.563 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -126.89 16.47 7.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 113.665 -1.607 . . . . 1.0 108.547 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -111.5 64.61 0.62 Allowed 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 114.402 -1.272 . . . . 1.0 112.346 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.42 155.63 19.53 Favored Glycine 0 N--CA 1.481 1.677 0 CA-C-N 114.58 -1.191 . . . . 1.0 112.536 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.49 147.63 49.16 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 112.886 -1.657 . . . . 1.0 108.659 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -107.61 145.49 33.21 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.433 1.083 . . . . 1.0 112.285 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptm -166.16 151.21 8.29 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.2 -1.407 . . . . 1.0 107.2 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 30.85 59.36 0.24 Allowed 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 123.217 1.484 . . . . 1.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 36.76 43.97 0.31 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 111.684 -2.507 . . . . 1.0 114.481 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -144.81 149.06 34.79 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 112.837 -1.983 . . . . 1.0 106.404 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 t -112.97 145.49 40.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.745 0.653 . . . . 1.0 112.52 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.28 134.34 54.67 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 104.991 -2.226 . . . . 1.0 104.991 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.2 m -120.01 153.55 35.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.692 0.62 . . . . 1.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -116.78 -164.95 1.01 Allowed 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.523 -1.288 . . . . 1.0 107.523 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 109.057 -0.72 . . . . 1.0 109.057 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 112.562 0.578 . . . . 1.0 112.562 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -18.91 141.49 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 116.754 2.131 . . . . 1.0 116.754 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.1 p -121.62 167.38 12.97 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 114.742 -1.117 . . . . 1.0 108.284 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -115.31 40.58 2.66 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 106.738 -1.579 . . . . 1.0 106.738 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -115.1 166.62 11.62 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 113.38 -1.736 . . . . 1.0 107.349 179.738 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 45.2 t -101.46 160.5 14.38 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 122.336 1.065 . . . . 1.0 112.101 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.11 169.77 17.18 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.364 -2.198 . . . . 1.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -115.66 -45.93 2.87 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 102.434 -3.172 . . . . 1.0 102.434 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.08 169.27 19.02 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 112.99 -1.914 . . . . 1.0 109.024 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -58.59 -42.29 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 106.457 -1.683 . . . . 1.0 106.457 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.411 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.1 t-20 -48.79 -38.39 21.87 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.112 -2.313 . . . . 1.0 111.388 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -84.51 -33.79 23.47 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.255 -1.339 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.6 t -57.23 -34.43 68.56 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.733 -0.84 . . . . 1.0 108.733 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.411 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 26.1 m0 -56.89 -44.19 82.07 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.193 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -58.66 -44.28 90.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.801 -1.545 . . . . 1.0 109.871 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.5 -48.49 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 124.57 1.169 . . . . 1.0 108.302 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.401 ' HB3' ' HG1' ' A' ' 23' ' ' THR . 34.7 m -56.66 -38.5 72.27 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 113.988 -1.46 . . . . 1.0 110.602 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HZ3' HH21 ' A' ' 19' ' ' ARG . 24.9 ttpp -73.08 -33.15 65.46 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 113.328 -1.76 . . . . 1.0 114.928 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.416 HH21 ' HZ3' ' A' ' 18' ' ' LYS . 11.6 ptp180 -94.66 -0.52 54.33 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 113.293 0.849 . . . . 1.0 113.293 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -110.22 -68.8 0.9 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.423 ' CE1' ' HG1' ' A' ' 23' ' ' THR . 5.5 p80 -125.92 55.63 1.45 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.817 -1.538 . . . . 1.0 113.422 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.6 t30 19.07 46.76 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.681 2.475 . . . . 1.0 117.681 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.423 ' HG1' ' CE1' ' A' ' 21' ' ' HIS . 1.1 p -117.14 165.37 13.48 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 114.075 -1.42 . . . . 1.0 108.927 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 18.6 t30 -131.65 -1.92 3.81 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 113.807 1.04 . . . . 1.0 113.807 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -100.86 77.47 1.86 Allowed 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 113.873 1.064 . . . . 1.0 113.873 -179.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.77 168.16 15.98 Favored Glycine 0 N--CA 1.484 1.868 0 CA-C-N 113.796 -1.547 . . . . 1.0 111.795 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 148.72 51.68 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 113.936 -1.132 . . . . 1.0 108.853 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.31 121.9 45.15 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.549 0.944 . . . . 1.0 113.549 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 39.8 mtm -137.05 135.11 37.25 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 106.633 -1.617 . . . . 1.0 106.633 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.67 63.95 0.43 Allowed 'General case' 0 N--CA 1.506 2.346 0 O-C-N 124.944 1.403 . . . . 1.0 109.136 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.72 46.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 111.91 -2.405 . . . . 1.0 113.648 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -137.36 148.31 46.17 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 104.568 -2.382 . . . . 1.0 104.568 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.7 t -110.76 133.51 53.28 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.956 0.884 . . . . 1.0 113.315 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -117.26 107.0 13.89 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.909 -1.886 . . . . 1.0 105.909 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m -99.47 157.5 16.39 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 123.925 0.766 . . . . 1.0 111.08 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.19 172.53 7.23 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.995 -1.457 . . . . 1.0 107.968 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.494 1.754 0 O-C-N 123.958 0.786 . . . . 1.0 108.932 -179.923 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 112.046 0.387 . . . . 1.0 112.046 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -15.55 140.16 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 117.21 2.3 . . . . 1.0 117.21 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.2 p -120.67 171.68 8.41 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.517 -1.219 . . . . 1.0 109.57 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.73 37.42 3.79 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 113.698 -1.592 . . . . 1.0 108.638 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.27 165.02 13.12 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 113.525 -1.67 . . . . 1.0 107.283 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m -100.86 161.12 13.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -140.25 169.86 16.9 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 113.348 -1.751 . . . . 1.0 111.121 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -121.66 -45.22 2.3 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 103.091 -2.929 . . . . 1.0 103.091 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.48 170.32 16.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.389 -1.732 . . . . 1.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -72.71 -44.15 62.1 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 104.804 -2.295 . . . . 1.0 104.804 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.402 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.3 t-20 -52.23 -31.12 30.65 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.315 -2.22 . . . . 1.0 110.022 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -87.77 -36.18 17.45 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.184 -1.826 . . . . 1.0 108.519 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.68 -33.25 63.98 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 108.407 -0.96 . . . . 1.0 108.407 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.402 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 34.0 m0 -56.74 -45.11 82.16 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.285 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -56.44 -44.6 80.62 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 113.799 -1.546 . . . . 1.0 109.985 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.63 -48.61 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 124.695 1.247 . . . . 1.0 108.132 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.9 m -59.54 -32.74 70.6 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.228 -1.351 . . . . 1.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -79.54 -28.46 41.25 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.898 -1.501 . . . . 1.0 114.549 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -96.82 -1.42 46.18 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.121 0.486 . . . . 1.0 111.826 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.1 -69.63 0.85 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.213 -1.358 . . . . 1.0 107.881 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -124.87 56.52 1.31 Allowed 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 113.82 -1.536 . . . . 1.0 113.442 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 t30 17.96 46.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 117.863 2.542 . . . . 1.0 117.863 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -117.15 161.84 18.8 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 114.056 -1.429 . . . . 1.0 108.752 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -134.28 19.95 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.145 0.498 . . . . 1.0 110.242 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -116.87 70.39 0.77 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.691 1.367 . . . . 1.0 114.691 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.05 167.74 21.02 Favored Glycine 0 N--CA 1.484 1.843 0 CA-C-N 114.274 -1.33 . . . . 1.0 111.793 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -133.54 152.82 51.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 113.949 -1.125 . . . . 1.0 108.681 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.43 130.14 50.7 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.603 0.964 . . . . 1.0 113.603 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ptp -143.14 136.87 28.64 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.492 -1.67 . . . . 1.0 106.492 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.3 64.5 0.37 Allowed 'General case' 0 N--CA 1.508 2.442 0 O-C-N 124.513 1.133 . . . . 1.0 109.248 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.91 45.74 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 112.204 -2.271 . . . . 1.0 113.917 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -138.46 146.75 42.47 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 111.695 -2.502 . . . . 1.0 105.349 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -106.25 136.75 45.42 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.759 -0.776 . . . . 1.0 112.474 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 115.65 23.69 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 104.219 -2.511 . . . . 1.0 104.219 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.0 m -107.34 163.04 13.37 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.758 0.661 . . . . 1.0 111.942 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -119.69 170.16 9.45 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.004 -1.453 . . . . 1.0 108.41 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 116.155 -1.879 . . . . 1.0 110.266 -179.979 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.576 -0.527 . . . . 1.0 109.576 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -22.65 139.87 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 125.533 1.77 . . . . 1.0 114.138 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.5 p -112.77 177.27 4.69 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 122.597 1.189 . . . . 1.0 109.452 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.1 29.81 7.48 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 111.461 -2.609 . . . . 1.0 111.349 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.45 147.15 37.11 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 104.959 -2.237 . . . . 1.0 104.959 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -77.42 156.08 31.38 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 117.211 2.301 . . . . 1.0 117.211 -179.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.6 155.48 38.51 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 111.798 -2.455 . . . . 1.0 108.448 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -102.61 -33.16 9.56 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 104.353 -2.462 . . . . 1.0 104.353 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.29 166.0 33.16 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 113.623 -1.626 . . . . 1.0 109.979 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.6 t -52.74 -44.15 66.23 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 123.496 1.617 . . . . 1.0 108.307 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.423 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 20.2 t-20 -47.61 -39.57 17.25 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 110.949 -2.841 . . . . 1.0 112.059 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -28.71 21.75 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 112.729 -2.032 . . . . 1.0 109.83 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -65.55 -27.72 68.65 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 36.4 m0 -60.41 -46.88 88.42 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.783 -1.098 . . . . 1.0 108.33 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -54.88 -42.14 71.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.224 -1.807 . . . . 1.0 110.677 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.46 -47.49 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 CA-C-N 113.266 -1.788 . . . . 1.0 108.335 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 84.0 m -66.18 -21.86 66.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 124.053 0.846 . . . . 1.0 111.502 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -75.79 -36.58 59.73 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 124.191 0.932 . . . . 1.0 109.708 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -91.81 -9.66 42.68 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 124.031 0.832 . . . . 1.0 111.537 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.87 -73.58 0.68 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 114.26 -1.336 . . . . 1.0 110.784 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -112.11 43.89 1.51 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.93 -1.487 . . . . 1.0 114.545 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.554 ' H ' HD21 ' A' ' 22' ' ' ASN . 2.3 m120 21.25 55.9 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 127.584 2.354 . . . . 1.0 116.898 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -134.74 164.62 27.14 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 110.921 -2.854 . . . . 1.0 113.497 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.456 ' H ' HH11 ' A' ' 25' ' ' ARG . 23.4 t30 -125.98 3.35 7.28 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.741 -1.572 . . . . 1.0 110.773 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.456 HH11 ' H ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -114.0 83.31 1.85 Allowed 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 113.595 -1.639 . . . . 1.0 110.718 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.53 171.1 20.82 Favored Glycine 0 C--O 1.215 -1.033 0 CA-C-N 112.585 -2.098 . . . . 1.0 112.482 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.2 130.93 48.76 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 113.236 -1.482 . . . . 1.0 111.436 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -99.82 151.21 21.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.3 ptm 176.46 152.72 0.18 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 124.415 1.072 . . . . 1.0 108.688 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 36.36 55.82 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 CA-C-O 122.936 1.35 . . . . 1.0 110.155 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 36.83 44.74 0.37 Allowed 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 111.646 -2.525 . . . . 1.0 114.605 -179.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -149.74 153.26 36.61 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 111.323 -2.671 . . . . 1.0 106.057 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 31.3 t -106.7 157.79 17.45 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 116.058 1.873 . . . . 1.0 116.058 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.87 144.34 50.71 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 113.313 -1.767 . . . . 1.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.7 m -126.56 156.09 41.38 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 179.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -100.46 -45.45 5.55 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 112.386 0.513 . . . . 1.0 112.386 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.498 1.956 0 N-CA-C 108.844 -0.799 . . . . 1.0 108.844 179.792 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 105.926 -1.879 . . . . 1.0 105.926 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 54.1 p -103.98 149.9 24.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 119.507 3.151 . . . . 1.0 119.507 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 p -131.43 170.27 14.9 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 112.532 -2.122 . . . . 1.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.3 m -118.92 -43.97 2.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 110.84 -2.891 . . . . 1.0 103.227 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.46 169.25 18.12 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.656 -1.611 . . . . 1.0 111.432 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -72.71 -46.41 53.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 104.483 -2.414 . . . . 1.0 104.483 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.475 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -50.61 -32.78 19.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 111.786 -2.461 . . . . 1.0 110.127 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -85.12 -38.91 18.51 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.157 -1.838 . . . . 1.0 108.2 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -55.64 -27.14 48.15 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 124.369 1.043 . . . . 1.0 109.219 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.475 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.9 m0 -60.48 -48.73 80.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.238 0.961 . . . . 1.0 109.304 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -54.44 -44.47 72.52 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.226 -1.352 . . . . 1.0 108.954 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -63.96 -39.67 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 113.39 -1.732 . . . . 1.0 108.559 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.527 ' SG ' ' HA3' ' A' ' 26' ' ' GLY . 71.7 m -68.31 -27.77 66.58 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.236 0.96 . . . . 1.0 111.801 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -69.91 -35.59 74.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.808 -1.182 . . . . 1.0 107.808 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -98.6 14.31 28.9 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.845 0.831 . . . . 1.0 111.695 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -113.97 -71.84 0.73 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.034 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -131.68 50.47 2.23 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 112.966 -1.925 . . . . 1.0 109.507 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 24.78 52.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 115.654 1.724 . . . . 1.0 115.654 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -129.92 165.0 22.98 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 113.473 -1.694 . . . . 1.0 112.117 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.464 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 15.0 t30 -125.71 14.07 8.06 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.09 -1.868 . . . . 1.0 107.544 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.3 mpt_? -111.13 70.23 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.902 -1.499 . . . . 1.0 110.467 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.527 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -122.66 157.43 17.26 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 112.628 -2.078 . . . . 1.0 110.469 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HD3' ' C ' ' A' ' 26' ' ' GLY . 1.3 mppt? -128.36 145.57 51.03 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 112.992 -1.604 . . . . 1.0 108.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -103.97 121.75 43.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 124.267 0.98 . . . . 1.0 109.122 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 ptm -133.35 133.17 42.15 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 106.948 -1.501 . . . . 1.0 106.948 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 34.63 64.88 0.38 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 124.853 1.345 . . . . 1.0 108.255 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.55 46.3 0.12 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.072 -2.331 . . . . 1.0 113.853 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 52.5 mtpt -138.41 150.11 46.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 112.205 -2.27 . . . . 1.0 106.228 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.6 138.11 45.45 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.449 1.277 . . . . 1.0 114.449 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -120.53 133.84 55.35 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.297 -2.112 . . . . 1.0 105.297 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 55.6 m . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 113.233 0.827 . . . . 1.0 113.233 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 107.903 -1.147 . . . . 1.0 107.903 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -102.91 162.24 13.09 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.967 -1.015 . . . . 1.0 113.022 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -140.35 169.36 17.82 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 112.904 -1.953 . . . . 1.0 110.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -120.47 -44.91 2.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 103.045 -2.946 . . . . 1.0 103.045 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.54 169.44 17.69 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 113.312 -1.767 . . . . 1.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -71.17 -44.21 65.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 104.702 -2.333 . . . . 1.0 104.702 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.6 t-20 -51.79 -32.49 31.46 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 112.161 -2.291 . . . . 1.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -86.42 -36.33 19.19 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.331 -1.759 . . . . 1.0 108.659 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.23 -31.41 65.49 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 124.217 0.948 . . . . 1.0 109.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.466 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 46.3 m0 -54.64 -44.2 72.99 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.765 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.86 -45.75 89.39 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 113.632 -1.622 . . . . 1.0 110.356 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.53 -47.36 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 107.737 -1.209 . . . . 1.0 107.737 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.38 -27.91 68.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 114.9 -1.046 . . . . 1.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -74.05 -29.5 61.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.733 0.645 . . . . 1.0 111.1 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -99.65 -8.89 23.8 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 123.605 0.566 . . . . 1.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.76 -67.53 0.99 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 124.092 0.87 . . . . 1.0 110.106 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.96 35.06 2.78 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.078 -1.419 . . . . 1.0 112.265 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 25.85 43.33 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.664 2.098 . . . . 1.0 116.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.426 ' HB ' ' HE ' ' A' ' 25' ' ' ARG . 12.5 p -136.94 167.97 20.47 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 114.93 -1.032 . . . . 1.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.605 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -122.53 21.79 10.09 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 114.033 -1.44 . . . . 1.0 108.203 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.605 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.39 72.96 0.81 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.063 -1.88 . . . . 1.0 108.304 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.96 165.25 16.89 Favored Glycine 0 N--CA 1.483 1.792 0 CA-C-N 113.635 -1.621 . . . . 1.0 112.96 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -138.05 138.89 39.25 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 112.911 -1.645 . . . . 1.0 108.72 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.3 t -103.15 121.5 42.77 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.5 mtp -132.42 133.74 44.27 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.147 -1.427 . . . . 1.0 107.147 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 33.65 66.12 0.25 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 124.993 1.433 . . . . 1.0 108.531 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 32.03 46.2 0.06 Allowed 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 111.795 -2.457 . . . . 1.0 113.976 -179.494 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -135.54 145.12 46.7 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 103.987 -2.597 . . . . 1.0 103.987 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.4 t -106.19 140.65 38.81 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 115.427 1.64 . . . . 1.0 115.427 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.1 tpt180 -121.06 149.05 43.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 112.274 -2.239 . . . . 1.0 108.623 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 18.8 m . . . . . 0 C--N 1.306 -1.293 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 105.211 -2.144 . . . . 1.0 105.211 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -105.01 157.66 17.08 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 p -143.29 171.52 14.0 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 111.986 -2.37 . . . . 1.0 110.552 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -117.2 -41.74 2.97 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.195 -2.73 . . . . 1.0 103.78 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.56 171.32 14.67 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.631 -1.622 . . . . 1.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -77.1 -46.85 22.15 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 104.155 -2.535 . . . . 1.0 104.155 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.418 ' ND2' ' CZ3' ' A' ' 14' ' ' TRP . 19.9 t-20 -50.35 -30.41 12.12 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 112.144 -2.298 . . . . 1.0 110.294 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -91.33 -37.8 13.02 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.854 -1.976 . . . . 1.0 108.336 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.53 -29.52 37.11 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 124.37 1.044 . . . . 1.0 109.247 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CZ3' ' ND2' ' A' ' 11' ' ' ASN . 45.2 m0 -58.52 -49.5 77.15 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.256 -1.338 . . . . 1.0 108.421 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.08 -45.85 83.0 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 113.86 -1.518 . . . . 1.0 109.482 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -60.77 -36.99 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.693 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.6 m -81.08 -18.2 47.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.115 -0.634 . . . . 1.0 109.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -81.27 -23.85 37.68 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.664 -0.865 . . . . 1.0 108.664 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -102.06 -7.19 22.52 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.841 0.713 . . . . 1.0 109.449 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.2 mp -110.51 -72.27 0.73 Allowed 'General case' 0 N--CA 1.503 2.198 0 CA-C-N 115.132 -0.94 . . . . 1.0 109.719 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.45 42.07 1.46 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.58 -1.191 . . . . 1.0 111.093 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 16.51 58.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.343 1.979 . . . . 1.0 116.343 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -140.44 161.85 36.72 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 112.288 -2.233 . . . . 1.0 108.559 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -120.35 18.72 12.18 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.923 0.868 . . . . 1.0 108.669 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.6 mpt_? -114.79 78.25 1.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.343 -1.753 . . . . 1.0 110.281 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.72 166.95 21.72 Favored Glycine 0 N--CA 1.483 1.83 0 CA-C-N 114.327 -1.306 . . . . 1.0 111.662 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -134.67 139.97 45.67 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 114.05 -1.075 . . . . 1.0 108.903 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.8 t -105.47 154.39 20.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 112.625 0.602 . . . . 1.0 112.625 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 ptm -177.03 143.83 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.75 1.282 . . . . 1.0 108.621 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 35.31 65.89 0.36 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 124.709 1.256 . . . . 1.0 109.355 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.85 44.11 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 112.739 -2.028 . . . . 1.0 113.315 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -140.0 145.51 37.89 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 111.537 -2.574 . . . . 1.0 106.042 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -112.87 151.68 30.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.835 0.826 . . . . 1.0 111.856 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -122.98 146.62 47.46 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.007 -1.906 . . . . 1.0 106.953 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 38.0 m . . . . . 0 C--N 1.307 -1.278 0 O-C-N 124.018 0.824 . . . . 1.0 109.426 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 107.289 -1.375 . . . . 1.0 107.289 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m -104.39 159.05 16.04 Favored 'General case' 0 C--N 1.309 -1.172 0 O-C-N 124.206 0.942 . . . . 1.0 112.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 27.8 p -142.58 170.21 16.13 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.393 -1.73 . . . . 1.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 m -119.69 -44.83 2.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 103.032 -2.951 . . . . 1.0 103.032 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.72 17.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.368 -1.742 . . . . 1.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.4 t -72.76 -44.72 61.26 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -52.21 -31.99 34.49 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 112.108 -2.315 . . . . 1.0 110.057 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -85.94 -37.95 18.5 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 113.255 -1.793 . . . . 1.0 108.381 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 t -56.0 -30.0 61.17 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 124.346 1.029 . . . . 1.0 108.953 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.452 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.0 m0 -58.37 -47.41 83.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 124.293 0.996 . . . . 1.0 109.106 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -57.7 -46.05 84.88 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 113.953 -1.476 . . . . 1.0 109.606 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -59.48 -42.17 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-N 114.408 -1.269 . . . . 1.0 108.68 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.422 ' HB3' HG23 ' A' ' 23' ' ' THR . 73.1 m -72.94 -24.38 60.79 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -74.56 -29.23 61.27 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 123.886 0.741 . . . . 1.0 109.144 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -99.62 -6.1 27.88 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.623 0.577 . . . . 1.0 110.675 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.7 mp -110.91 -71.3 0.77 Allowed 'General case' 0 N--CA 1.504 2.269 0 O-C-N 124.232 0.957 . . . . 1.0 109.327 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.3 38.28 2.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.596 1.185 . . . . 1.0 113.254 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 25.95 45.42 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 125.913 1.685 . . . . 1.0 114.86 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.422 HG23 ' HB3' ' A' ' 17' ' ' CYS . 5.3 t -134.98 163.4 29.95 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.586 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.439 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -121.83 20.64 10.86 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 114.573 -1.194 . . . . 1.0 108.621 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -113.15 72.67 0.78 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 113.372 -1.74 . . . . 1.0 109.44 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.58 163.95 23.13 Favored Glycine 0 N--CA 1.481 1.68 0 CA-C-N 113.991 -1.458 . . . . 1.0 112.538 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -131.39 146.68 52.38 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 113.81 -1.195 . . . . 1.0 111.276 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.82 126.5 51.96 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.909 0.756 . . . . 1.0 111.316 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.9 ptm -141.23 136.36 31.61 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.883 -1.525 . . . . 1.0 106.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.26 63.3 0.43 Allowed 'General case' 0 N--CA 1.507 2.423 0 O-C-N 124.576 1.173 . . . . 1.0 109.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.08 46.45 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 112.102 -2.317 . . . . 1.0 113.563 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 94.5 mttt -136.9 148.78 47.24 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 111.807 -2.451 . . . . 1.0 105.293 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.74 151.06 24.92 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 122.274 1.035 . . . . 1.0 113.075 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -123.22 140.45 53.01 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 104.488 -2.412 . . . . 1.0 104.488 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 58.5 m . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 108.691 -0.855 . . . . 1.0 108.691 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 104.582 -2.377 . . . . 1.0 104.582 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 t -101.83 158.82 15.85 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 122.619 1.199 . . . . 1.0 112.499 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.9 p -137.0 168.81 18.88 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 111.655 -2.521 . . . . 1.0 109.927 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -115.42 -45.09 2.94 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 102.492 -3.151 . . . . 1.0 102.492 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.76 168.98 19.44 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.217 -1.811 . . . . 1.0 109.598 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -57.81 -44.67 86.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.473 -1.677 . . . . 1.0 106.473 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -46.05 -34.91 4.43 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 111.579 -2.555 . . . . 1.0 112.607 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.06 -32.87 15.01 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 113.732 -1.577 . . . . 1.0 109.803 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 27.1 t -58.6 -32.39 68.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 124.103 0.877 . . . . 1.0 109.525 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.08 -46.12 71.95 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 114.196 -1.366 . . . . 1.0 109.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.0 -42.76 80.89 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 113.341 -1.754 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -63.74 -50.92 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.5 m -61.77 -25.26 67.36 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 123.836 0.71 . . . . 1.0 111.242 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -76.0 -32.46 59.43 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 124.099 0.874 . . . . 1.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -98.16 -1.3 42.51 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 120.425 -0.51 . . . . 1.0 111.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 5.5 mp -111.93 -68.65 0.92 Allowed 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.767 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -117.72 46.7 1.69 Allowed 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 114.285 -1.325 . . . . 1.0 112.114 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.5 t30 19.49 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 p -132.79 161.56 33.77 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.59 -1.641 . . . . 1.0 110.299 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -122.77 1.59 9.39 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 114.512 -1.222 . . . . 1.0 109.981 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -105.04 74.72 1.13 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 122.292 1.044 . . . . 1.0 111.606 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.96 172.3 19.08 Favored Glycine 0 N--CA 1.481 1.696 0 CA-C-N 113.157 -1.838 . . . . 1.0 109.076 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -134.79 157.39 46.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 124.156 0.562 . . . . 1.0 110.728 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.08 145.57 29.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 124.004 0.815 . . . . 1.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ptm -157.2 135.02 10.84 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 114.509 -1.223 . . . . 1.0 108.592 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 25.15 70.53 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 CA-C-O 124.031 1.872 . . . . 1.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.11 47.23 0.18 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.131 -3.668 . . . . 1.0 114.593 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -144.51 148.47 34.53 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 111.508 -2.587 . . . . 1.0 106.364 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.5 t -106.08 149.16 26.99 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.388 0.884 . . . . 1.0 113.388 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.76 151.6 50.17 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.603 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 107.929 -1.138 . . . . 1.0 107.929 179.627 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 104.764 -2.31 . . . . 1.0 104.764 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -106.86 162.6 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 114.534 1.309 . . . . 1.0 114.534 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 p -138.96 175.01 9.91 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 112.149 -2.296 . . . . 1.0 110.618 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.7 m -123.46 -46.98 2.0 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 101.418 -3.549 . . . . 1.0 101.418 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.01 170.6 15.75 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 112.946 -1.934 . . . . 1.0 109.603 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -75.64 -46.19 32.97 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 104.838 -2.282 . . . . 1.0 104.838 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 23.1 t-20 -52.68 -33.26 46.58 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 111.925 -2.398 . . . . 1.0 109.273 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -83.38 -39.06 21.15 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.178 -1.828 . . . . 1.0 107.947 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.7 t -54.5 -29.7 51.06 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 124.295 0.997 . . . . 1.0 109.418 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 42.0 m0 -57.45 -49.82 75.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 124.408 1.067 . . . . 1.0 108.772 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -58.01 -46.31 85.47 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.291 -1.777 . . . . 1.0 109.791 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.59 -40.32 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-N 114.515 -1.221 . . . . 1.0 108.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.15 -26.09 61.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 124.011 0.819 . . . . 1.0 110.77 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -75.51 -30.52 59.85 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.078 -0.965 . . . . 1.0 110.128 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -100.88 13.04 36.37 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.101 0.953 . . . . 1.0 110.557 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 mp -113.76 -71.99 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 112.863 -1.971 . . . . 1.0 108.815 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -130.49 51.61 2.1 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.954 -1.93 . . . . 1.0 110.268 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 26.44 52.28 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 115.45 1.648 . . . . 1.0 115.45 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -126.58 158.62 35.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.954 -1.475 . . . . 1.0 111.481 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.83 10.54 4.68 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.125 -0.943 . . . . 1.0 112.03 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.552 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 1.1 mpt_? -110.94 67.16 0.64 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.87 0.843 . . . . 1.0 111.86 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.51 167.06 17.98 Favored Glycine 0 N--CA 1.483 1.817 0 CA-C-N 113.6 -1.636 . . . . 1.0 111.869 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -136.82 164.08 29.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.029 -1.1 . . . . 1.0 108.029 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -100.69 126.7 47.24 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 47.5 mtp -124.15 107.67 11.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.549 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 42.41 57.45 3.39 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 122.899 1.333 . . . . 1.0 110.355 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.25 31.54 20.24 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.965 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.91 110.74 11.0 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 106.631 -1.618 . . . . 1.0 106.631 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.43 134.26 52.14 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 119.534 -0.867 . . . . 1.0 108.928 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -120.87 132.09 54.78 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 105.141 -2.17 . . . . 1.0 105.141 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 33.6 m . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 105.357 -2.09 . . . . 1.0 105.357 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 108.426 -0.953 . . . . 1.0 108.426 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -105.24 158.37 16.65 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 124.223 0.952 . . . . 1.0 113.495 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 170.37 15.83 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 113.121 -1.854 . . . . 1.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.0 m -119.83 -45.0 2.5 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 102.954 -2.98 . . . . 1.0 102.954 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.09 169.37 17.92 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 113.332 -1.758 . . . . 1.0 110.599 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -45.45 65.4 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 104.033 -2.58 . . . . 1.0 104.033 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -48.37 -31.97 6.89 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 111.92 -2.4 . . . . 1.0 111.131 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.69 -37.15 14.79 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 112.869 -1.969 . . . . 1.0 108.882 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -55.34 -29.8 59.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 124.308 1.005 . . . . 1.0 109.052 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -59.58 -48.64 80.88 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 114.29 -1.323 . . . . 1.0 108.706 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -54.6 -43.83 72.51 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.057 -1.429 . . . . 1.0 109.473 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -61.36 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-N 114.239 -1.346 . . . . 1.0 108.325 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.93 -20.44 63.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 124.09 0.869 . . . . 1.0 111.528 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.49 -29.38 37.37 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 124.143 0.902 . . . . 1.0 109.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -99.91 2.63 43.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 123.746 0.654 . . . . 1.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 2.8 mp -111.59 -69.85 0.84 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 113.98 -1.464 . . . . 1.0 108.65 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -126.87 55.47 1.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 113.472 -1.695 . . . . 1.0 112.042 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 17.72 50.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 118.422 2.749 . . . . 1.0 118.422 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -129.56 159.61 35.81 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 113.68 -1.6 . . . . 1.0 111.435 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 14.5 t30 -123.19 16.5 9.89 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 113.715 -1.584 . . . . 1.0 108.343 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.5 mpt_? -112.98 74.01 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.771 -1.559 . . . . 1.0 110.468 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.33 168.04 20.34 Favored Glycine 0 N--CA 1.482 1.71 0 CA-C-N 113.634 -1.621 . . . . 1.0 111.613 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -133.71 144.84 49.38 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 114.201 -1.0 . . . . 1.0 111.081 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -104.16 122.0 44.43 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 123.955 0.785 . . . . 1.0 110.995 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.7 mtm -133.48 130.43 38.57 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 106.388 -1.708 . . . . 1.0 106.388 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 34.1 66.25 0.27 Allowed 'General case' 0 N--CA 1.505 2.285 0 O-C-N 124.829 1.331 . . . . 1.0 109.392 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 35.69 43.49 0.17 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 111.505 -2.589 . . . . 1.0 114.595 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 9.3 mtmp? -134.63 147.61 50.21 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 104.552 -2.388 . . . . 1.0 104.552 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.19 152.95 22.81 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.026 1.121 . . . . 1.0 114.026 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.8 OUTLIER -128.2 147.41 50.57 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 113.143 -1.844 . . . . 1.0 107.406 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 51.1 m . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 108.564 -0.902 . . . . 1.0 108.564 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -101.44 163.64 12.17 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.797 -1.092 . . . . 1.0 112.681 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.1 p -137.83 168.27 20.03 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.33 -1.759 . . . . 1.0 110.799 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -121.04 -48.03 2.25 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 102.302 -3.221 . . . . 1.0 102.302 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.46 166.06 26.75 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.03 -1.896 . . . . 1.0 108.54 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.6 t -58.38 -44.46 88.9 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 106.384 -1.71 . . . . 1.0 106.384 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.467 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.2 t-20 -49.07 -38.76 25.27 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 111.643 -2.526 . . . . 1.0 111.491 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.35 -32.57 26.17 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.189 -1.369 . . . . 1.0 109.907 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.12 -34.48 72.09 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.409 -0.96 . . . . 1.0 108.409 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.467 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 30.2 m0 -55.63 -41.43 73.53 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.743 -1.117 . . . . 1.0 109.946 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -57.63 -43.13 84.6 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.203 -1.362 . . . . 1.0 110.107 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -63.64 -53.47 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 106.225 -1.769 . . . . 1.0 106.225 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.1 m -50.66 -33.97 24.64 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.866 -1.061 . . . . 1.0 111.265 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmpt? -74.68 -35.68 62.78 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.619 -1.628 . . . . 1.0 111.825 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -97.29 3.77 51.12 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.127 0.489 . . . . 1.0 111.807 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -111.25 -65.06 1.21 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 114.377 -1.283 . . . . 1.0 108.326 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -131.91 52.91 2.03 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.992 -1.458 . . . . 1.0 111.869 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 18.87 55.15 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.411 2.004 . . . . 1.0 116.411 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -129.03 163.19 25.93 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.201 -1.818 . . . . 1.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.538 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 16.1 t30 -129.94 13.02 5.76 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.534 -1.212 . . . . 1.0 110.181 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.538 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.19 72.79 0.95 Allowed 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.177 -1.374 . . . . 1.0 111.083 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.79 166.52 22.53 Favored Glycine 0 N--CA 1.484 1.85 0 CA-C-N 115.121 -0.945 . . . . 1.0 112.886 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -133.37 155.22 49.86 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 114.112 -1.044 . . . . 1.0 110.575 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -106.83 116.82 32.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 124.696 1.248 . . . . 1.0 111.158 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.7 mtm -132.21 126.4 33.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 124.148 0.905 . . . . 1.0 108.572 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 39.91 59.27 1.96 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 122.577 1.18 . . . . 1.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt 46.0 37.75 4.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 112.232 -2.258 . . . . 1.0 114.053 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.77 153.94 50.74 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.764 -1.939 . . . . 1.0 105.764 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.0 t -110.73 145.27 38.36 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.786 -0.766 . . . . 1.0 112.684 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -125.47 131.88 52.78 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.857 -2.275 . . . . 1.0 104.857 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 64.1 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.182 0.515 . . . . 1.0 111.349 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.457 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 67.2 m -98.41 163.22 12.78 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 112.069 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.0 p -139.19 168.89 18.82 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.766 -1.561 . . . . 1.0 111.225 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -119.48 -47.81 2.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.318 -3.215 . . . . 1.0 102.318 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.54 168.92 20.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.002 -1.908 . . . . 1.0 109.327 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -57.91 -43.19 86.05 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 106.922 -1.51 . . . . 1.0 106.922 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.459 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 24.1 t-20 -49.23 -39.23 29.25 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 111.928 -2.396 . . . . 1.0 111.403 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -33.97 27.16 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.247 -1.342 . . . . 1.0 109.371 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 42.9 t -58.61 -33.6 70.19 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 123.918 0.761 . . . . 1.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.459 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 29.2 m0 -55.63 -43.5 76.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 124.066 0.854 . . . . 1.0 109.219 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 t -58.98 -44.2 91.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 113.806 -1.543 . . . . 1.0 109.746 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.75 -47.6 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' HA3' ' A' ' 26' ' ' GLY . 22.6 m -58.03 -37.79 75.02 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 114.393 -1.276 . . . . 1.0 110.792 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.679 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -72.48 -35.79 68.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 113.389 -1.732 . . . . 1.0 114.371 -179.728 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HB3' ' HZ3' ' A' ' 18' ' ' LYS . 12.4 ptp180 -91.42 -0.85 57.69 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.974 0.731 . . . . 1.0 112.974 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.99 -69.41 0.87 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.541 -1.281 . . . . 1.0 107.541 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -125.5 54.68 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.894 -1.503 . . . . 1.0 113.206 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.2 t30 18.71 48.02 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 116.972 2.212 . . . . 1.0 116.972 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -118.23 162.75 17.74 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 113.678 -1.601 . . . . 1.0 109.596 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 10.1 t30 -133.42 24.52 4.11 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 24' ' ' ASN . 1.2 mpt_? -112.32 67.59 0.66 Allowed 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 114.006 -1.452 . . . . 1.0 111.6 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.405 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -127.97 164.06 21.42 Favored Glycine 0 N--CA 1.484 1.883 0 CA-C-N 115.274 -0.876 . . . . 1.0 114.289 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 13.9 ptmm? -137.26 158.38 44.55 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.22 -1.49 . . . . 1.0 109.292 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -107.52 132.16 53.54 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.619 0.97 . . . . 1.0 113.619 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptp -145.42 133.17 21.08 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.896 -1.52 . . . . 1.0 106.896 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.52 64.34 0.4 Allowed 'General case' 0 N--CA 1.508 2.436 0 O-C-N 124.293 0.996 . . . . 1.0 109.484 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.85 44.81 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 112.129 -2.305 . . . . 1.0 113.978 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -137.3 147.99 46.04 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 111.582 -2.554 . . . . 1.0 105.147 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.7 t -105.64 143.26 34.05 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.885 -0.726 . . . . 1.0 112.882 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -125.48 115.42 20.21 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.006 -2.22 . . . . 1.0 105.006 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.488 1.426 0 O-C-N 123.992 0.808 . . . . 1.0 112.368 -179.776 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 105.745 -1.946 . . . . 1.0 105.745 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.426 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 66.4 m -100.28 161.49 13.57 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.644 0.735 . . . . 1.0 111.938 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 30.5 p -138.16 170.79 15.41 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 113.401 -1.727 . . . . 1.0 110.571 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.5 m -122.1 -45.86 2.22 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 102.322 -3.214 . . . . 1.0 102.322 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.62 167.2 22.15 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.285 -1.78 . . . . 1.0 110.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 t -67.67 -45.08 76.26 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 104.795 -2.298 . . . . 1.0 104.795 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.474 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -50.81 -32.87 21.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 111.66 -2.518 . . . . 1.0 110.37 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -85.45 -36.46 20.59 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.441 -1.709 . . . . 1.0 108.736 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 t -56.62 -31.38 64.26 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.474 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.8 m0 -56.37 -44.71 80.42 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.42 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.9 t -58.63 -43.36 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 113.914 -1.494 . . . . 1.0 110.205 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.96 -51.24 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.774 -1.195 . . . . 1.0 107.774 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.33 -33.81 69.92 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.393 -1.276 . . . . 1.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HB3' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.97 -37.12 72.77 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 114.625 -1.17 . . . . 1.0 110.99 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.466 HH21 ' NZ ' ' A' ' 18' ' ' LYS . 12.5 ptp180 -92.49 -5.55 51.61 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 120.448 -0.501 . . . . 1.0 111.499 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -111.0 -71.89 0.74 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.212 0.945 . . . . 1.0 110.037 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.22 42.56 1.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.273 0.983 . . . . 1.0 111.785 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.5 t30 22.01 51.21 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 115.924 1.824 . . . . 1.0 115.924 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.437 ' HB ' ' HE ' ' A' ' 25' ' ' ARG . 1.6 p -133.12 163.13 29.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.469 -1.696 . . . . 1.0 110.865 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.63 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -127.23 15.21 7.25 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.075 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.63 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.04 65.6 0.62 Allowed 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.62 -1.173 . . . . 1.0 111.542 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.429 ' C ' ' HD3' ' A' ' 27' ' ' LYS . . . -122.58 161.71 16.67 Favored Glycine 0 N--CA 1.483 1.775 0 CA-C-N 113.459 -1.7 . . . . 1.0 112.407 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -125.97 151.67 46.71 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.398 -1.401 . . . . 1.0 110.018 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.41 116.98 33.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.141 0.9 . . . . 1.0 109.52 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.2 mtp -133.08 128.76 36.9 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 123.902 0.751 . . . . 1.0 109.0 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 39.12 61.12 1.34 Allowed 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 123.026 1.393 . . . . 1.0 109.923 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 45.9 36.85 3.14 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 mtpm? -134.23 157.93 45.03 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.843 -1.54 . . . . 1.0 106.843 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.2 t -113.32 139.41 48.87 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.588 0.709 . . . . 1.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -121.91 134.66 54.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.543 -2.762 . . . . 1.0 103.543 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.481 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 55.8 m . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 107.836 -1.172 . . . . 1.0 107.836 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -106.49 160.16 15.62 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 124.348 1.03 . . . . 1.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -141.79 169.75 17.01 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.433 -1.712 . . . . 1.0 111.302 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -119.28 -44.78 2.57 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 102.91 -2.996 . . . . 1.0 102.91 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.49 169.23 18.15 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 113.531 -1.668 . . . . 1.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -73.1 -44.62 60.1 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 104.726 -2.324 . . . . 1.0 104.726 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.443 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.4 t-20 -51.84 -32.2 30.83 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 112.083 -2.326 . . . . 1.0 110.167 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.04 -38.03 18.28 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.031 -1.895 . . . . 1.0 108.458 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 t -55.88 -30.96 62.36 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.277 0.986 . . . . 1.0 109.208 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.443 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 33.0 m0 -58.99 -46.66 87.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.78 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.3 t -58.32 -44.37 88.61 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 113.836 -1.529 . . . . 1.0 109.886 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -58.73 -46.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 124.653 1.221 . . . . 1.0 108.16 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.8 m -63.09 -33.77 76.17 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.052 -0.976 . . . . 1.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 18' ' ' LYS . 6.7 ttpm? -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -96.0 -5.48 41.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 123.611 0.569 . . . . 1.0 112.065 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -111.16 -71.5 0.76 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 124.227 0.954 . . . . 1.0 109.164 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.2 42.68 1.5 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 124.539 1.149 . . . . 1.0 112.289 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 23.02 46.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 117.095 2.257 . . . . 1.0 117.095 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -131.64 166.46 21.4 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.469 -1.241 . . . . 1.0 111.025 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.545 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 14.5 t30 -126.13 13.29 7.78 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.992 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.545 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -105.92 68.54 0.78 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 114.085 -1.416 . . . . 1.0 109.544 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.07 163.98 15.31 Favored Glycine 0 N--CA 1.483 1.822 0 CA-C-N 114.599 -1.182 . . . . 1.0 114.085 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -135.27 145.88 48.0 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 113.331 -1.434 . . . . 1.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -104.14 127.05 51.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.488 0.493 . . . . 1.0 111.266 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptm -142.62 136.19 28.89 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.05 63.41 0.41 Allowed 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.661 1.226 . . . . 1.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.31 46.79 0.07 Allowed 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.743 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.89 149.0 47.38 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 111.496 -2.593 . . . . 1.0 105.139 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -110.2 144.33 39.02 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.373 1.249 . . . . 1.0 114.373 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -115.1 144.81 43.08 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 111.721 -2.491 . . . . 1.0 107.168 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 C--N 1.307 -1.253 0 O-C-N 124.228 0.955 . . . . 1.0 108.601 179.667 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.925 0 N-CA-C 104.112 -2.551 . . . . 1.0 104.112 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 47.2 t -93.11 159.34 15.33 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.677 0.751 . . . . 1.0 111.956 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.6 p -137.47 165.57 25.95 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 113.141 -1.845 . . . . 1.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -119.42 -47.35 2.45 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.584 -3.117 . . . . 1.0 102.584 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.72 168.95 19.48 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.078 -1.874 . . . . 1.0 109.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 t -62.11 -43.25 99.25 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.101 -1.814 . . . . 1.0 106.101 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.413 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 10.9 t-20 -48.35 -33.31 8.78 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 111.988 -2.369 . . . . 1.0 111.985 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.47 -34.17 14.92 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.209 -1.36 . . . . 1.0 109.024 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.71 -32.66 65.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 1.0 109.115 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 40.1 m0 -57.19 -46.1 83.13 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.37 -1.286 . . . . 1.0 109.484 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -56.36 -44.61 80.27 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 125.136 1.523 . . . . 1.0 110.678 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.31 -52.0 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 124.66 1.225 . . . . 1.0 107.889 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 63.4 m -64.36 -21.9 66.78 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.581 -1.19 . . . . 1.0 111.685 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -78.96 -32.2 45.3 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 124.055 0.847 . . . . 1.0 110.093 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -98.34 -1.15 42.37 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 123.618 0.574 . . . . 1.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -111.45 -70.29 0.82 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 114.525 -1.216 . . . . 1.0 108.937 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -119.34 48.12 1.56 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.362 1.038 . . . . 1.0 111.913 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 13.87 59.02 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 7.8 t -137.41 160.73 38.26 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 112.436 -2.165 . . . . 1.0 108.266 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.44 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -124.22 20.73 8.92 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 114.854 -1.066 . . . . 1.0 108.625 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.488 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -114.05 67.82 0.68 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 113.484 -1.689 . . . . 1.0 110.673 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.69 166.84 22.9 Favored Glycine 0 N--CA 1.482 1.728 0 CA-C-N 114.108 -1.406 . . . . 1.0 110.594 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -136.42 157.94 45.6 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 114.57 -0.815 . . . . 1.0 112.402 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.1 t -103.01 125.16 49.65 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 114.53 -1.214 . . . . 1.0 112.617 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.6 mtm -141.6 139.02 33.01 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 106.272 -1.751 . . . . 1.0 106.272 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 33.97 60.26 0.54 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 123.473 1.606 . . . . 1.0 112.227 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 tptm 43.13 36.37 0.96 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 111.491 -2.595 . . . . 1.0 114.808 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 22.2 pttm -139.57 156.33 46.95 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.4 -1.704 . . . . 1.0 106.4 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 1.1 tmt_? -123.11 145.11 48.85 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.297 -2.229 . . . . 1.0 106.617 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 38.3 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.372 -0.973 . . . . 1.0 108.372 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 108.646 -0.872 . . . . 1.0 108.646 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -106.3 160.52 15.3 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.443 1.089 . . . . 1.0 111.771 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.37 167.33 21.81 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 112.725 -2.034 . . . . 1.0 110.656 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.8 m -117.75 -47.14 2.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 102.206 -3.257 . . . . 1.0 102.206 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.31 167.5 22.29 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.085 -1.871 . . . . 1.0 108.919 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -63.07 -44.23 96.36 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.459 -1.682 . . . . 1.0 106.459 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.9 t-20 -48.12 -38.26 17.34 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 112.03 -2.35 . . . . 1.0 111.676 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.55 -35.33 22.91 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.112 -1.403 . . . . 1.0 108.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.41 -29.8 64.41 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 124.052 0.845 . . . . 1.0 109.312 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 32.7 m0 -59.3 -48.48 81.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.239 0.962 . . . . 1.0 108.585 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -55.85 -45.25 78.51 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 113.97 -1.468 . . . . 1.0 109.754 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.61 -44.52 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-N 114.334 -1.303 . . . . 1.0 108.513 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.2 m -73.34 -18.43 61.19 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -81.31 -27.59 34.96 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.928 0.768 . . . . 1.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -100.18 -7.07 25.18 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.837 0.711 . . . . 1.0 109.904 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 7.0 mp -110.79 -71.53 0.76 Allowed 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.33 1.019 . . . . 1.0 109.903 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.57 40.36 1.72 Allowed 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.369 -1.287 . . . . 1.0 111.928 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 17.4 56.57 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 116.414 2.005 . . . . 1.0 116.414 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.2 t -139.26 166.43 24.55 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.832 -1.985 . . . . 1.0 108.989 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.509 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 21.2 t30 -120.57 8.21 10.67 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.16 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.509 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.24 80.17 1.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.452 -1.249 . . . . 1.0 109.6 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.53 165.09 20.76 Favored Glycine 0 N--CA 1.482 1.754 0 CA-C-N 114.654 -1.157 . . . . 1.0 111.834 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -132.96 143.38 49.42 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 114.172 -1.014 . . . . 1.0 111.297 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -101.57 122.47 43.9 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.503 0.502 . . . . 1.0 109.975 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -139.88 134.61 31.88 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.922 -1.14 . . . . 1.0 107.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 34.09 63.2 0.42 Allowed 'General case' 0 N--CA 1.507 2.405 0 O-C-N 124.683 1.239 . . . . 1.0 109.345 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.9 47.02 0.16 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 112.112 -2.313 . . . . 1.0 113.388 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -137.76 150.44 47.26 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-N 111.838 -2.437 . . . . 1.0 105.234 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.31 146.52 32.82 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.787 1.402 . . . . 1.0 114.787 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.3 tpt180 -118.11 147.79 42.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 112.587 -2.097 . . . . 1.0 108.087 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.414 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 39.7 m . . . . . 0 C--N 1.307 -1.247 0 N-CA-C 107.772 -1.195 . . . . 1.0 107.772 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 105.074 -2.195 . . . . 1.0 105.074 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -98.63 158.5 15.57 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 116.426 2.01 . . . . 1.0 116.426 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 23.0 p -137.84 167.36 21.89 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 112.883 -1.962 . . . . 1.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -118.28 -47.62 2.55 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 102.355 -3.202 . . . . 1.0 102.355 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.54 168.27 21.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 112.751 -2.022 . . . . 1.0 108.173 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -43.78 94.04 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 105.436 -2.061 . . . . 1.0 105.436 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -47.66 -34.15 7.7 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 111.657 -2.52 . . . . 1.0 111.671 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.54 -34.66 14.67 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.221 -1.354 . . . . 1.0 108.528 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.9 t -56.94 -25.63 57.98 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.388 1.055 . . . . 1.0 109.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -65.64 -52.19 53.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.34 1.025 . . . . 1.0 108.571 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 t -54.34 -41.96 69.7 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 114.322 -1.308 . . . . 1.0 109.606 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -66.63 -46.68 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 113.861 -1.518 . . . . 1.0 107.613 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 69.2 m -65.39 -20.59 66.44 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 124.267 0.979 . . . . 1.0 112.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -72.06 -36.99 69.72 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 105.66 -1.978 . . . . 1.0 105.66 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -99.46 9.23 43.64 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.796 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -114.04 -69.38 0.86 Allowed 'General case' 0 N--CA 1.504 2.24 0 CA-C-N 114.246 -1.343 . . . . 1.0 108.927 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.74 45.35 2.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 18.97 59.48 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.985 1.846 . . . . 1.0 115.985 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.422 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 7.6 t -141.2 166.65 24.2 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 112.279 -2.237 . . . . 1.0 109.444 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.529 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -125.15 4.6 7.87 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 114.845 -1.07 . . . . 1.0 109.859 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.529 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -109.93 72.84 0.81 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.462 1.125 . . . . 1.0 108.943 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.28 169.09 14.85 Favored Glycine 0 N--CA 1.482 1.741 0 CA-C-N 112.881 -1.963 . . . . 1.0 110.785 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.82 148.2 52.31 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.6 t -102.78 122.07 43.74 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.033 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -138.01 133.21 33.33 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.534 -1.284 . . . . 1.0 107.534 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 34.08 65.72 0.3 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 124.662 1.226 . . . . 1.0 109.077 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.33 45.72 0.09 Allowed 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.163 -2.29 . . . . 1.0 113.946 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 43.5 mmtm -136.95 152.39 50.12 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 111.971 -2.377 . . . . 1.0 105.563 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 42.2 t -110.86 144.36 40.01 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.292 1.59 . . . . 1.0 115.292 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -116.95 145.93 43.31 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 111.374 -2.648 . . . . 1.0 108.321 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.8 m . . . . . 0 C--N 1.305 -1.368 0 N-CA-C 105.668 -1.975 . . . . 1.0 105.668 179.633 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 106.744 -1.576 . . . . 1.0 106.744 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 50.1 m -94.78 161.17 14.28 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 123.784 0.677 . . . . 1.0 112.488 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 20.5 p -138.57 166.22 24.88 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.263 -1.335 . . . . 1.0 110.767 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.7 m -120.12 -48.26 2.34 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 102.54 -3.133 . . . . 1.0 102.54 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.69 167.48 23.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 112.983 -1.917 . . . . 1.0 108.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -62.23 -41.91 98.84 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 105.866 -1.901 . . . . 1.0 105.866 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.47 -33.97 15.7 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 111.697 -2.501 . . . . 1.0 111.543 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.55 -33.87 15.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.335 -1.302 . . . . 1.0 108.972 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t -57.16 -32.71 66.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 124.246 0.966 . . . . 1.0 109.376 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -54.91 -47.7 74.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 114.597 -1.183 . . . . 1.0 109.795 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -53.37 -42.84 67.29 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 125.415 1.697 . . . . 1.0 111.105 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -66.3 -50.86 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 114.368 -1.287 . . . . 1.0 107.733 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 78.2 m -66.25 -15.84 63.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 124.286 0.991 . . . . 1.0 111.958 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -81.41 -29.85 33.76 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 16' ' ' ILE . 12.9 ptp180 -102.81 5.18 38.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.826 0.704 . . . . 1.0 110.076 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -112.8 -66.24 1.1 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 114.14 -1.391 . . . . 1.0 109.007 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -127.2 48.09 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.488 -1.687 . . . . 1.0 111.538 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 16.84 57.64 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 113.399 -1.728 . . . . 1.0 115.449 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 10.1 t -137.25 163.7 30.3 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 112.691 -2.05 . . . . 1.0 111.013 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.9 20.26 7.04 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.681 -1.6 . . . . 1.0 107.361 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.62 66.28 0.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.201 -1.818 . . . . 1.0 109.017 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.63 165.68 20.61 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 113.485 -1.689 . . . . 1.0 111.491 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -135.07 155.36 50.86 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 114.095 -1.052 . . . . 1.0 112.159 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -103.46 129.18 50.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.6 ptm -143.83 137.69 28.15 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.871 -1.529 . . . . 1.0 106.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 27.75 68.53 0.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 123.777 1.751 . . . . 1.0 110.681 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.44 44.87 0.07 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.572 -3.467 . . . . 1.0 114.514 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 34.6 mtmm -143.49 155.48 44.36 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 112.188 -2.278 . . . . 1.0 107.608 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.3 t -103.67 152.99 21.15 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 117.019 2.229 . . . . 1.0 117.019 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -124.5 143.65 50.54 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 112.151 -2.295 . . . . 1.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 105.918 -1.882 . . . . 1.0 105.918 179.595 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 104.931 -2.248 . . . . 1.0 104.931 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 m -96.05 159.58 14.89 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 121.825 0.821 . . . . 1.0 112.284 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.0 p -140.29 168.14 20.51 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.005 -1.907 . . . . 1.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -120.13 -44.07 2.51 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 103.58 -2.748 . . . . 1.0 103.58 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.26 168.39 19.26 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.448 -1.705 . . . . 1.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 t -71.27 -44.35 65.43 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 105.092 -2.188 . . . . 1.0 105.092 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.444 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.1 t-20 -51.64 -30.86 23.17 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 112.379 -2.191 . . . . 1.0 110.385 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -88.3 -36.26 16.77 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.3 -1.773 . . . . 1.0 108.64 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -56.46 -32.54 65.06 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 124.064 0.852 . . . . 1.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.444 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.2 m0 -54.8 -46.29 74.48 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 114.59 -1.186 . . . . 1.0 109.276 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.6 t -55.75 -41.33 73.8 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.327 -1.761 . . . . 1.0 110.309 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.22 -49.3 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 124.473 1.108 . . . . 1.0 108.011 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.72 -24.62 67.76 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.71 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -43.72 24.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 124.14 0.9 . . . . 1.0 111.44 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HG3' ' CD1' ' A' ' 20' ' ' LEU . 11.7 ptp180 -82.95 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 120.127 -0.629 . . . . 1.0 112.476 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HB3' ' ND1' ' A' ' 21' ' ' HIS . 10.4 mp -111.59 -64.94 1.22 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 124.113 0.883 . . . . 1.0 110.722 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 20' ' ' LEU . 55.6 m80 -109.85 37.51 2.64 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.573 -1.649 . . . . 1.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 23.5 49.58 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 116.106 1.891 . . . . 1.0 116.106 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 p -134.3 162.75 31.31 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 113.859 -1.518 . . . . 1.0 110.351 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.463 ' C ' ' HE ' ' A' ' 25' ' ' ARG . 20.6 t-20 -126.78 -0.58 6.69 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.406 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HE ' ' C ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -97.26 70.91 2.36 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.992 -179.743 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.83 168.92 15.12 Favored Glycine 0 N--CA 1.487 2.047 0 CA-C-N 114.496 -1.229 . . . . 1.0 112.563 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -131.36 147.08 52.53 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 114.079 -1.061 . . . . 1.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.16 135.9 44.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 123.967 0.792 . . . . 1.0 110.585 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.4 ptm -156.96 146.54 20.56 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.215 -1.402 . . . . 1.0 107.215 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 32.88 58.52 0.44 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-O 123.365 1.555 . . . . 1.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 36.23 42.56 0.18 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.308 -2.678 . . . . 1.0 114.93 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -141.87 153.22 44.29 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.43 146.21 33.44 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 114.028 1.122 . . . . 1.0 114.028 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 1.1 tmt_? -126.94 154.43 44.52 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 112.894 -1.957 . . . . 1.0 107.049 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 23.4 m . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 107.775 -1.195 . . . . 1.0 107.775 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 106.567 -1.642 . . . . 1.0 106.567 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -102.51 158.02 16.51 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.064 0.853 . . . . 1.0 111.619 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.0 p -143.57 169.41 17.77 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.823 -1.535 . . . . 1.0 111.329 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -118.73 -43.79 2.66 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 110.974 -2.83 . . . . 1.0 103.583 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.87 169.12 18.09 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.553 -1.658 . . . . 1.0 111.054 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.4 m -75.99 -43.62 43.57 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -53.39 -31.21 43.8 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 112.278 -2.237 . . . . 1.0 109.355 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -86.8 -38.09 17.19 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 113.077 -1.874 . . . . 1.0 107.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 t -55.25 -29.44 58.07 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 124.349 1.031 . . . . 1.0 109.114 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.429 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 37.9 m0 -59.88 -47.14 86.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 124.276 0.985 . . . . 1.0 109.16 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -57.31 -44.16 83.91 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 114.048 -1.433 . . . . 1.0 109.72 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -59.82 -50.81 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 CA-C-N 114.491 -1.232 . . . . 1.0 107.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -56.61 -34.83 67.61 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.484 -1.235 . . . . 1.0 111.365 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -72.3 -34.94 68.52 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.148 -1.387 . . . . 1.0 112.028 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -95.14 0.0 53.77 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 3.3 mp -111.7 -69.06 0.89 Allowed 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 114.548 -1.206 . . . . 1.0 109.811 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -121.76 48.32 1.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.605 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.2 t30 18.66 54.62 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 116.607 2.077 . . . . 1.0 116.607 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -128.69 163.95 24.0 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 112.841 -1.981 . . . . 1.0 110.084 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.563 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 23.0 t30 -130.26 -2.48 4.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 113.343 0.868 . . . . 1.0 113.343 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.58 74.67 1.02 Allowed 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.938 0.875 . . . . 1.0 111.525 -179.677 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 168.19 15.85 Favored Glycine 0 N--CA 1.483 1.789 0 CA-C-N 113.649 -1.614 . . . . 1.0 111.368 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -131.65 149.84 52.35 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 114.229 -0.986 . . . . 1.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.56 144.96 30.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 123.741 0.651 . . . . 1.0 110.639 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 ptp -167.77 151.06 6.01 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.15 -1.426 . . . . 1.0 107.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 31.08 61.16 0.24 Allowed 'General case' 0 N--CA 1.509 2.488 0 O-C-N 124.579 1.175 . . . . 1.0 110.407 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.35 43.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 111.706 -2.497 . . . . 1.0 114.209 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 58.4 pttt -141.59 152.13 43.77 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 111.621 -2.536 . . . . 1.0 105.75 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.909 0.862 . . . . 1.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.06 138.28 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.244 -2.132 . . . . 1.0 105.244 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.307 -1.255 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.026 0 N-CA-C 105.585 -2.006 . . . . 1.0 105.585 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 t -102.61 157.02 17.23 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 122.735 1.255 . . . . 1.0 113.624 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 23.7 p -146.81 168.26 21.86 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 111.891 -2.413 . . . . 1.0 109.435 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -115.01 -39.79 3.6 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 104.054 -2.573 . . . . 1.0 104.054 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.24 167.75 20.97 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 114.005 -1.452 . . . . 1.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 t -69.45 -42.59 74.72 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 105.842 -1.91 . . . . 1.0 105.842 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.2 t-20 -48.76 -36.76 17.2 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 112.785 -2.007 . . . . 1.0 111.14 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.57 -35.55 19.41 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.076 -1.42 . . . . 1.0 108.57 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -55.9 -30.15 61.13 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 124.023 0.827 . . . . 1.0 109.45 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 29.5 m0 -61.01 -47.38 86.71 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 114.743 -1.117 . . . . 1.0 108.088 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -57.97 -43.55 86.57 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 114.248 -1.342 . . . . 1.0 109.533 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -59.24 -46.36 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 107.659 -1.237 . . . . 1.0 107.659 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.11 -23.85 64.05 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 115.175 -0.921 . . . . 1.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -76.76 -28.71 55.81 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.837 0.711 . . . . 1.0 109.887 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -100.33 -5.31 27.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.641 0.588 . . . . 1.0 110.376 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.9 mp -111.35 -71.97 0.74 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 124.412 1.07 . . . . 1.0 109.559 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.17 40.92 1.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.695 1.247 . . . . 1.0 111.663 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 18.17 58.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.49 2.033 . . . . 1.0 116.49 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 t -143.7 163.57 32.9 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 112.365 -2.198 . . . . 1.0 108.277 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.554 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 13.9 t30 -120.66 20.3 11.76 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.941 0.876 . . . . 1.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.554 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -111.83 83.98 1.88 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 113.29 -1.777 . . . . 1.0 109.306 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.76 165.31 23.89 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 114.343 -1.298 . . . . 1.0 112.312 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -133.74 132.86 41.07 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 113.749 -1.225 . . . . 1.0 108.611 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.28 151.76 23.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.216 0.821 . . . . 1.0 113.216 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptm -178.35 153.58 0.75 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 124.699 1.25 . . . . 1.0 108.029 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 33.35 56.74 0.51 Allowed 'General case' 0 N--CA 1.506 2.348 0 CA-C-O 122.655 1.217 . . . . 1.0 111.325 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 37.15 42.5 0.27 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.124 -2.307 . . . . 1.0 114.03 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 57.7 pttt -142.82 151.69 41.42 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 105.057 -2.201 . . . . 1.0 105.057 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.06 152.39 31.09 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.842 0.829 . . . . 1.0 113.042 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.0 149.88 42.85 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.644 -2.071 . . . . 1.0 107.24 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.483 1.222 0 O-C-N 123.69 0.619 . . . . 1.0 110.24 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 104.993 -2.225 . . . . 1.0 104.993 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 m -102.49 153.66 19.85 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.282 2.327 . . . . 1.0 117.282 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 p -140.55 169.73 17.1 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 111.546 -2.57 . . . . 1.0 109.879 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 m -117.88 -39.39 3.11 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 111.761 -2.472 . . . . 1.0 104.731 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.59 169.78 16.79 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 124.986 1.429 . . . . 1.0 111.843 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -78.24 -44.99 24.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.474 -2.417 . . . . 1.0 104.474 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.424 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.5 t-20 -52.52 -32.24 39.44 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 112.134 -2.303 . . . . 1.0 109.305 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -86.45 -38.56 17.2 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 112.935 -1.939 . . . . 1.0 107.576 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.9 t -55.62 -26.27 43.25 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.214 0.947 . . . . 1.0 109.241 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 34.6 m0 -64.53 -51.8 61.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 124.198 0.936 . . . . 1.0 108.66 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.7 t -53.87 -45.66 71.08 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.803 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.6 mp -60.43 -43.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 CA-C-N 112.982 -1.917 . . . . 1.0 108.471 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.1 m -67.1 -28.78 68.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.124 0.89 . . . . 1.0 111.747 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -72.2 -29.34 63.89 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.203 -0.908 . . . . 1.0 109.414 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -103.14 8.45 38.63 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 121.593 0.711 . . . . 1.0 111.03 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.6 mp -113.49 -71.51 0.75 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-N 113.743 -1.571 . . . . 1.0 108.978 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -126.35 49.07 2.04 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 113.072 -1.876 . . . . 1.0 110.281 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 t30 22.92 50.1 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.541 2.052 . . . . 1.0 116.541 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -131.6 167.08 20.04 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.915 -1.493 . . . . 1.0 111.563 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.515 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 9.6 t30 -126.89 16.47 7.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 113.665 -1.607 . . . . 1.0 108.547 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.558 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -111.5 64.61 0.62 Allowed 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 114.402 -1.272 . . . . 1.0 112.346 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.42 155.63 19.53 Favored Glycine 0 N--CA 1.481 1.677 0 CA-C-N 114.58 -1.191 . . . . 1.0 112.536 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.49 147.63 49.16 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 112.886 -1.657 . . . . 1.0 108.659 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -107.61 145.49 33.21 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.433 1.083 . . . . 1.0 112.285 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.415 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 22.0 ptm -166.16 151.21 8.29 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.2 -1.407 . . . . 1.0 107.2 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 30.85 59.36 0.24 Allowed 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 123.217 1.484 . . . . 1.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 36.76 43.97 0.31 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 111.684 -2.507 . . . . 1.0 114.481 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 29' ' ' MET . 61.2 pttt -144.81 149.06 34.79 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 112.837 -1.983 . . . . 1.0 106.404 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 t -112.97 145.49 40.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.745 0.653 . . . . 1.0 112.52 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -122.28 134.34 54.67 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 104.991 -2.226 . . . . 1.0 104.991 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 51.2 m . . . . . 0 N--CA 1.487 1.393 0 O-C-N 123.692 0.62 . . . . 1.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 107.349 -1.352 . . . . 1.0 107.349 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.428 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 45.2 t -101.46 160.5 14.38 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 122.336 1.065 . . . . 1.0 112.101 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.11 169.77 17.18 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.364 -2.198 . . . . 1.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -115.66 -45.93 2.87 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 102.434 -3.172 . . . . 1.0 102.434 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.08 169.27 19.02 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 112.99 -1.914 . . . . 1.0 109.024 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -58.59 -42.29 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 106.457 -1.683 . . . . 1.0 106.457 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.473 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.1 t-20 -48.79 -38.39 21.87 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.112 -2.313 . . . . 1.0 111.388 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -84.51 -33.79 23.47 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.255 -1.339 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.6 t -57.23 -34.43 68.56 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.733 -0.84 . . . . 1.0 108.733 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.473 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 26.1 m0 -56.89 -44.19 82.07 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.193 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -58.66 -44.28 90.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.801 -1.545 . . . . 1.0 109.871 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.5 -48.49 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 124.57 1.169 . . . . 1.0 108.302 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.7 m -56.66 -38.5 72.27 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 113.988 -1.46 . . . . 1.0 110.602 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -73.08 -33.15 65.46 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 113.328 -1.76 . . . . 1.0 114.928 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -94.66 -0.52 54.33 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 113.293 0.849 . . . . 1.0 113.293 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -110.22 -68.8 0.9 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -125.92 55.63 1.45 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.817 -1.538 . . . . 1.0 113.422 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.6 t30 19.07 46.76 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.681 2.475 . . . . 1.0 117.681 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -117.14 165.37 13.48 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 114.075 -1.42 . . . . 1.0 108.927 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.506 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 18.6 t30 -131.65 -1.92 3.81 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 113.807 1.04 . . . . 1.0 113.807 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.506 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -100.86 77.47 1.86 Allowed 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 113.873 1.064 . . . . 1.0 113.873 -179.747 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 35' ' ' CYS . . . -123.77 168.16 15.98 Favored Glycine 0 N--CA 1.484 1.868 0 CA-C-N 113.796 -1.547 . . . . 1.0 111.795 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 148.72 51.68 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 113.936 -1.132 . . . . 1.0 108.853 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.31 121.9 45.15 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.549 0.944 . . . . 1.0 113.549 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 39.8 mtm -137.05 135.11 37.25 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 106.633 -1.617 . . . . 1.0 106.633 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.67 63.95 0.43 Allowed 'General case' 0 N--CA 1.506 2.346 0 O-C-N 124.944 1.403 . . . . 1.0 109.136 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.72 46.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 111.91 -2.405 . . . . 1.0 113.648 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -137.36 148.31 46.17 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 104.568 -2.382 . . . . 1.0 104.568 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.7 t -110.76 133.51 53.28 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.956 0.884 . . . . 1.0 113.315 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -117.26 107.0 13.89 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.909 -1.886 . . . . 1.0 105.909 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' HA ' ' HA2' ' A' ' 26' ' ' GLY . 57.8 m . . . . . 0 C--N 1.305 -1.326 0 O-C-N 123.925 0.766 . . . . 1.0 111.08 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 107.283 -1.377 . . . . 1.0 107.283 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.411 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 64.9 m -100.86 161.12 13.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -140.25 169.86 16.9 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 113.348 -1.751 . . . . 1.0 111.121 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -121.66 -45.22 2.3 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 103.091 -2.929 . . . . 1.0 103.091 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.48 170.32 16.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.389 -1.732 . . . . 1.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -72.71 -44.15 62.1 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 104.804 -2.295 . . . . 1.0 104.804 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.432 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.3 t-20 -52.23 -31.12 30.65 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.315 -2.22 . . . . 1.0 110.022 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -87.77 -36.18 17.45 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.184 -1.826 . . . . 1.0 108.519 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.68 -33.25 63.98 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 108.407 -0.96 . . . . 1.0 108.407 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 34.0 m0 -56.74 -45.11 82.16 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.285 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -56.44 -44.6 80.62 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 113.799 -1.546 . . . . 1.0 109.985 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.63 -48.61 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 124.695 1.247 . . . . 1.0 108.132 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.9 m -59.54 -32.74 70.6 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.228 -1.351 . . . . 1.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -79.54 -28.46 41.25 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.898 -1.501 . . . . 1.0 114.549 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -96.82 -1.42 46.18 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.121 0.486 . . . . 1.0 111.826 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.1 -69.63 0.85 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.213 -1.358 . . . . 1.0 107.881 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -124.87 56.52 1.31 Allowed 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 113.82 -1.536 . . . . 1.0 113.442 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 t30 17.96 46.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 117.863 2.542 . . . . 1.0 117.863 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -117.15 161.84 18.8 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 114.056 -1.429 . . . . 1.0 108.752 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -134.28 19.95 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.145 0.498 . . . . 1.0 110.242 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -116.87 70.39 0.77 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.691 1.367 . . . . 1.0 114.691 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.05 167.74 21.02 Favored Glycine 0 N--CA 1.484 1.843 0 CA-C-N 114.274 -1.33 . . . . 1.0 111.793 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -133.54 152.82 51.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 113.949 -1.125 . . . . 1.0 108.681 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.43 130.14 50.7 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.603 0.964 . . . . 1.0 113.603 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ptp -143.14 136.87 28.64 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.492 -1.67 . . . . 1.0 106.492 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.3 64.5 0.37 Allowed 'General case' 0 N--CA 1.508 2.442 0 O-C-N 124.513 1.133 . . . . 1.0 109.248 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.91 45.74 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 112.204 -2.271 . . . . 1.0 113.917 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -138.46 146.75 42.47 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 111.695 -2.502 . . . . 1.0 105.349 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -106.25 136.75 45.42 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.759 -0.776 . . . . 1.0 112.474 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 115.65 23.69 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 104.219 -2.511 . . . . 1.0 104.219 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.486 1.36 0 O-C-N 123.758 0.661 . . . . 1.0 111.942 -179.704 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 104.959 -2.237 . . . . 1.0 104.959 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -77.42 156.08 31.38 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 117.211 2.301 . . . . 1.0 117.211 -179.644 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.6 155.48 38.51 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 111.798 -2.455 . . . . 1.0 108.448 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -102.61 -33.16 9.56 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 104.353 -2.462 . . . . 1.0 104.353 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.29 166.0 33.16 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 113.623 -1.626 . . . . 1.0 109.979 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.6 t -52.74 -44.15 66.23 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 123.496 1.617 . . . . 1.0 108.307 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.495 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 20.2 t-20 -47.61 -39.57 17.25 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 110.949 -2.841 . . . . 1.0 112.059 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -28.71 21.75 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 112.729 -2.032 . . . . 1.0 109.83 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -65.55 -27.72 68.65 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.495 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 36.4 m0 -60.41 -46.88 88.42 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.783 -1.098 . . . . 1.0 108.33 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -54.88 -42.14 71.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.224 -1.807 . . . . 1.0 110.677 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -66.46 -47.49 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 CA-C-N 113.266 -1.788 . . . . 1.0 108.335 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 84.0 m -66.18 -21.86 66.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 124.053 0.846 . . . . 1.0 111.502 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -75.79 -36.58 59.73 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 124.191 0.932 . . . . 1.0 109.708 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 16' ' ' ILE . 12.4 ptp180 -91.81 -9.66 42.68 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 124.031 0.832 . . . . 1.0 111.537 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -105.87 -73.58 0.68 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 114.26 -1.336 . . . . 1.0 110.784 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 23' ' ' THR . 5.5 m80 -112.11 43.89 1.51 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.93 -1.487 . . . . 1.0 114.545 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 21.25 55.9 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 127.584 2.354 . . . . 1.0 116.898 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 21' ' ' HIS . 2.2 p -134.74 164.62 27.14 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 110.921 -2.854 . . . . 1.0 113.497 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.531 ' H ' HH11 ' A' ' 25' ' ' ARG . 23.4 t30 -125.98 3.35 7.28 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.741 -1.572 . . . . 1.0 110.773 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.531 HH11 ' H ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -114.0 83.31 1.85 Allowed 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 113.595 -1.639 . . . . 1.0 110.718 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.53 171.1 20.82 Favored Glycine 0 C--O 1.215 -1.033 0 CA-C-N 112.585 -2.098 . . . . 1.0 112.482 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.2 130.93 48.76 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 113.236 -1.482 . . . . 1.0 111.436 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -99.82 151.21 21.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.433 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 14.3 ptm 176.46 152.72 0.18 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 124.415 1.072 . . . . 1.0 108.688 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 36.36 55.82 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 CA-C-O 122.936 1.35 . . . . 1.0 110.155 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 36.83 44.74 0.37 Allowed 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 111.646 -2.525 . . . . 1.0 114.605 -179.663 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 29' ' ' MET . 22.1 ptmt -149.74 153.26 36.61 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 111.323 -2.671 . . . . 1.0 106.057 179.455 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 31.3 t -106.7 157.79 17.45 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 116.058 1.873 . . . . 1.0 116.058 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.87 144.34 50.71 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 113.313 -1.767 . . . . 1.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 179.59 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 108.838 -0.801 . . . . 1.0 108.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.57 ' H ' HH11 ' A' ' 34' ' ' ARG . 50.1 t80 -4.04 127.19 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 117.558 2.429 . . . . 1.0 117.558 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.5 p -124.11 -176.21 3.44 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 112.612 -2.085 . . . . 1.0 110.985 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -109.7 37.41 2.65 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 112.178 -2.283 . . . . 1.0 106.256 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -101.8 153.78 19.51 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 113.01 -1.905 . . . . 1.0 105.926 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 54.1 p -103.98 149.9 24.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 119.507 3.151 . . . . 1.0 119.507 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 p -131.43 170.27 14.9 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 112.532 -2.122 . . . . 1.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.3 m -118.92 -43.97 2.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 110.84 -2.891 . . . . 1.0 103.227 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.46 169.25 18.12 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.656 -1.611 . . . . 1.0 111.432 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -72.71 -46.41 53.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 104.483 -2.414 . . . . 1.0 104.483 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.475 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -50.61 -32.78 19.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 111.786 -2.461 . . . . 1.0 110.127 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -85.12 -38.91 18.51 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.157 -1.838 . . . . 1.0 108.2 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -55.64 -27.14 48.15 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 124.369 1.043 . . . . 1.0 109.219 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.475 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.9 m0 -60.48 -48.73 80.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.238 0.961 . . . . 1.0 109.304 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -54.44 -44.47 72.52 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.226 -1.352 . . . . 1.0 108.954 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -63.96 -39.67 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 113.39 -1.732 . . . . 1.0 108.559 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.527 ' SG ' ' HA3' ' A' ' 26' ' ' GLY . 71.7 m -68.31 -27.77 66.58 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.236 0.96 . . . . 1.0 111.801 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -69.91 -35.59 74.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.808 -1.182 . . . . 1.0 107.808 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -98.6 14.31 28.9 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.845 0.831 . . . . 1.0 111.695 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -113.97 -71.84 0.73 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.034 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -131.68 50.47 2.23 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 112.966 -1.925 . . . . 1.0 109.507 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 24.78 52.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 115.654 1.724 . . . . 1.0 115.654 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -129.92 165.0 22.98 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 113.473 -1.694 . . . . 1.0 112.117 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.464 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 15.0 t30 -125.71 14.07 8.06 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.09 -1.868 . . . . 1.0 107.544 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.3 mpt_? -111.13 70.23 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.902 -1.499 . . . . 1.0 110.467 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.527 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -122.66 157.43 17.26 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 112.628 -2.078 . . . . 1.0 110.469 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HD3' ' C ' ' A' ' 26' ' ' GLY . 1.3 mppt? -128.36 145.57 51.03 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 112.992 -1.604 . . . . 1.0 108.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -103.97 121.75 43.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 124.267 0.98 . . . . 1.0 109.122 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 ptm -133.35 133.17 42.15 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 106.948 -1.501 . . . . 1.0 106.948 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 34.63 64.88 0.38 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 124.853 1.345 . . . . 1.0 108.255 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.55 46.3 0.12 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.072 -2.331 . . . . 1.0 113.853 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 52.5 mtpt -138.41 150.11 46.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 112.205 -2.27 . . . . 1.0 106.228 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.6 138.11 45.45 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.449 1.277 . . . . 1.0 114.449 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.57 HH11 ' H ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -120.53 133.84 55.35 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.297 -2.112 . . . . 1.0 105.297 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 55.6 m -125.46 167.04 15.54 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.233 0.827 . . . . 1.0 113.233 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -111.53 170.44 8.13 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.823 -1.535 . . . . 1.0 107.265 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 N--CA 1.505 2.285 0 O-C-N 124.781 1.301 . . . . 1.0 113.925 -179.708 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 121.504 0.669 . . . . 1.0 110.653 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -75.25 157.35 34.6 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 114.995 -1.002 . . . . 1.0 111.36 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -123.27 176.51 6.07 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.693 -1.139 . . . . 1.0 109.503 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -112.8 36.6 3.4 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 105.805 -1.924 . . . . 1.0 105.805 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.9 160.8 22.71 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 114.186 -1.37 . . . . 1.0 107.903 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -102.91 162.24 13.09 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.967 -1.015 . . . . 1.0 113.022 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -140.35 169.36 17.82 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 112.904 -1.953 . . . . 1.0 110.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -120.47 -44.91 2.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 103.045 -2.946 . . . . 1.0 103.045 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.54 169.44 17.69 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 113.312 -1.767 . . . . 1.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -71.17 -44.21 65.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 104.702 -2.333 . . . . 1.0 104.702 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.6 t-20 -51.79 -32.49 31.46 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 112.161 -2.291 . . . . 1.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -86.42 -36.33 19.19 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.331 -1.759 . . . . 1.0 108.659 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.23 -31.41 65.49 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 124.217 0.948 . . . . 1.0 109.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.466 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 46.3 m0 -54.64 -44.2 72.99 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.765 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.86 -45.75 89.39 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 113.632 -1.622 . . . . 1.0 110.356 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.53 -47.36 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 107.737 -1.209 . . . . 1.0 107.737 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.38 -27.91 68.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 114.9 -1.046 . . . . 1.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -74.05 -29.5 61.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.733 0.645 . . . . 1.0 111.1 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -99.65 -8.89 23.8 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 123.605 0.566 . . . . 1.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 8.5 mp -111.76 -67.53 0.99 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 124.092 0.87 . . . . 1.0 110.106 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.427 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 17.6 m170 -103.96 35.06 2.78 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.078 -1.419 . . . . 1.0 112.265 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 25.85 43.33 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.664 2.098 . . . . 1.0 116.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.426 ' HB ' ' HE ' ' A' ' 25' ' ' ARG . 12.5 p -136.94 167.97 20.47 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 114.93 -1.032 . . . . 1.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.605 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -122.53 21.79 10.09 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 114.033 -1.44 . . . . 1.0 108.203 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.605 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.39 72.96 0.81 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.063 -1.88 . . . . 1.0 108.304 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.96 165.25 16.89 Favored Glycine 0 N--CA 1.483 1.792 0 CA-C-N 113.635 -1.621 . . . . 1.0 112.96 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -138.05 138.89 39.25 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 112.911 -1.645 . . . . 1.0 108.72 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.3 t -103.15 121.5 42.77 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.5 mtp -132.42 133.74 44.27 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.147 -1.427 . . . . 1.0 107.147 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 33.65 66.12 0.25 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 124.993 1.433 . . . . 1.0 108.531 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 32.03 46.2 0.06 Allowed 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 111.795 -2.457 . . . . 1.0 113.976 -179.494 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -135.54 145.12 46.7 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 103.987 -2.597 . . . . 1.0 103.987 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.4 t -106.19 140.65 38.81 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 115.427 1.64 . . . . 1.0 115.427 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.1 tpt180 -121.06 149.05 43.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 112.274 -2.239 . . . . 1.0 108.623 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 18.8 m -127.96 161.41 29.18 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -103.82 -37.76 7.31 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.424 -0.954 . . . . 1.0 108.424 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 116.382 -1.771 . . . . 1.0 107.864 179.796 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.42 ' HA ' ' H ' ' A' ' 35' ' ' CYS . 65.5 t80 -12.37 138.03 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.549 0 N-CA-C 117.69 2.478 . . . . 1.0 117.69 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 p -122.59 176.12 6.1 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.366 -1.288 . . . . 1.0 111.208 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -121.43 41.86 3.23 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 113.067 -1.878 . . . . 1.0 107.601 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -113.18 164.99 12.83 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 105.211 -2.144 . . . . 1.0 105.211 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -105.01 157.66 17.08 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 p -143.29 171.52 14.0 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 111.986 -2.37 . . . . 1.0 110.552 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -117.2 -41.74 2.97 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.195 -2.73 . . . . 1.0 103.78 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.56 171.32 14.67 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.631 -1.622 . . . . 1.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -77.1 -46.85 22.15 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 104.155 -2.535 . . . . 1.0 104.155 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' ND2' ' CZ3' ' A' ' 14' ' ' TRP . 19.9 t-20 -50.35 -30.41 12.12 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 112.144 -2.298 . . . . 1.0 110.294 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -91.33 -37.8 13.02 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.854 -1.976 . . . . 1.0 108.336 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.53 -29.52 37.11 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 124.37 1.044 . . . . 1.0 109.247 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.418 ' CZ3' ' ND2' ' A' ' 11' ' ' ASN . 45.2 m0 -58.52 -49.5 77.15 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.256 -1.338 . . . . 1.0 108.421 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.08 -45.85 83.0 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 113.86 -1.518 . . . . 1.0 109.482 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -60.77 -36.99 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.693 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.6 m -81.08 -18.2 47.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.115 -0.634 . . . . 1.0 109.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -81.27 -23.85 37.68 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.664 -0.865 . . . . 1.0 108.664 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -102.06 -7.19 22.52 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.841 0.713 . . . . 1.0 109.449 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.2 mp -110.51 -72.27 0.73 Allowed 'General case' 0 N--CA 1.503 2.198 0 CA-C-N 115.132 -0.94 . . . . 1.0 109.719 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -108.45 42.07 1.46 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.58 -1.191 . . . . 1.0 111.093 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 16.51 58.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.343 1.979 . . . . 1.0 116.343 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -140.44 161.85 36.72 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 112.288 -2.233 . . . . 1.0 108.559 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -120.35 18.72 12.18 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.923 0.868 . . . . 1.0 108.669 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.6 mpt_? -114.79 78.25 1.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.343 -1.753 . . . . 1.0 110.281 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.72 166.95 21.72 Favored Glycine 0 N--CA 1.483 1.83 0 CA-C-N 114.327 -1.306 . . . . 1.0 111.662 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -134.67 139.97 45.67 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 114.05 -1.075 . . . . 1.0 108.903 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.8 t -105.47 154.39 20.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 112.625 0.602 . . . . 1.0 112.625 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 ptm -177.03 143.83 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.75 1.282 . . . . 1.0 108.621 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 35.31 65.89 0.36 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 124.709 1.256 . . . . 1.0 109.355 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.85 44.11 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 112.739 -2.028 . . . . 1.0 113.315 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -140.0 145.51 37.89 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 111.537 -2.574 . . . . 1.0 106.042 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -112.87 151.68 30.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.835 0.826 . . . . 1.0 111.856 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -122.98 146.62 47.46 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.007 -1.906 . . . . 1.0 106.953 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.42 ' H ' ' HA ' ' A' ' 2' ' ' PHE . 38.0 m -128.25 163.96 23.6 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 124.018 0.824 . . . . 1.0 109.426 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -115.55 163.91 15.08 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.556 -0.905 . . . . 1.0 108.556 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.494 1.767 0 O-C-N 124.238 0.961 . . . . 1.0 109.343 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 108.514 -0.921 . . . . 1.0 108.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -19.19 138.81 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 115.988 1.847 . . . . 1.0 115.988 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.418 HG23 ' SG ' ' A' ' 35' ' ' CYS . 36.7 p -120.56 174.65 6.43 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 114.87 -1.059 . . . . 1.0 110.998 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -117.34 39.6 3.25 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 113.037 -1.892 . . . . 1.0 108.011 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -110.46 167.71 10.0 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 112.912 -1.949 . . . . 1.0 107.289 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m -104.39 159.05 16.04 Favored 'General case' 0 C--N 1.309 -1.172 0 O-C-N 124.206 0.942 . . . . 1.0 112.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 27.8 p -142.58 170.21 16.13 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.393 -1.73 . . . . 1.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 m -119.69 -44.83 2.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 103.032 -2.951 . . . . 1.0 103.032 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.72 17.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.368 -1.742 . . . . 1.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.4 t -72.76 -44.72 61.26 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -52.21 -31.99 34.49 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 112.108 -2.315 . . . . 1.0 110.057 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -85.94 -37.95 18.5 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 113.255 -1.793 . . . . 1.0 108.381 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 t -56.0 -30.0 61.17 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 124.346 1.029 . . . . 1.0 108.953 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.452 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.0 m0 -58.37 -47.41 83.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 124.293 0.996 . . . . 1.0 109.106 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -57.7 -46.05 84.88 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 113.953 -1.476 . . . . 1.0 109.606 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -59.48 -42.17 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-N 114.408 -1.269 . . . . 1.0 108.68 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.422 ' HB3' HG23 ' A' ' 23' ' ' THR . 73.1 m -72.94 -24.38 60.79 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -74.56 -29.23 61.27 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 123.886 0.741 . . . . 1.0 109.144 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -99.62 -6.1 27.88 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.623 0.577 . . . . 1.0 110.675 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.7 mp -110.91 -71.3 0.77 Allowed 'General case' 0 N--CA 1.504 2.269 0 O-C-N 124.232 0.957 . . . . 1.0 109.327 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.3 38.28 2.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.596 1.185 . . . . 1.0 113.254 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 25.95 45.42 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 125.913 1.685 . . . . 1.0 114.86 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.422 HG23 ' HB3' ' A' ' 17' ' ' CYS . 5.3 t -134.98 163.4 29.95 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.586 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.439 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -121.83 20.64 10.86 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 114.573 -1.194 . . . . 1.0 108.621 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -113.15 72.67 0.78 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 113.372 -1.74 . . . . 1.0 109.44 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.58 163.95 23.13 Favored Glycine 0 N--CA 1.481 1.68 0 CA-C-N 113.991 -1.458 . . . . 1.0 112.538 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -131.39 146.68 52.38 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 113.81 -1.195 . . . . 1.0 111.276 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.82 126.5 51.96 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.909 0.756 . . . . 1.0 111.316 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.9 ptm -141.23 136.36 31.61 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.883 -1.525 . . . . 1.0 106.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.26 63.3 0.43 Allowed 'General case' 0 N--CA 1.507 2.423 0 O-C-N 124.576 1.173 . . . . 1.0 109.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.08 46.45 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 112.102 -2.317 . . . . 1.0 113.563 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 94.5 mttt -136.9 148.78 47.24 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 111.807 -2.451 . . . . 1.0 105.293 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.74 151.06 24.92 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 122.274 1.035 . . . . 1.0 113.075 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -123.22 140.45 53.01 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 104.488 -2.412 . . . . 1.0 104.488 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 58.5 m -129.76 155.48 45.87 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.691 -0.855 . . . . 1.0 108.691 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.23 168.55 12.3 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 116.213 -1.851 . . . . 1.0 110.199 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 112.481 0.549 . . . . 1.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -38.9 149.09 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 O-C-N 124.49 1.119 . . . . 1.0 111.937 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.0 p -122.73 173.46 7.73 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.999 0.904 . . . . 1.0 111.285 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.471 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -118.39 35.25 4.84 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 112.517 -2.129 . . . . 1.0 108.059 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.75 162.31 17.47 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 104.582 -2.377 . . . . 1.0 104.582 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 t -101.83 158.82 15.85 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 122.619 1.199 . . . . 1.0 112.499 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.9 p -137.0 168.81 18.88 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 111.655 -2.521 . . . . 1.0 109.927 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -115.42 -45.09 2.94 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 102.492 -3.151 . . . . 1.0 102.492 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.76 168.98 19.44 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.217 -1.811 . . . . 1.0 109.598 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -57.81 -44.67 86.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.473 -1.677 . . . . 1.0 106.473 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -46.05 -34.91 4.43 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 111.579 -2.555 . . . . 1.0 112.607 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.06 -32.87 15.01 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 113.732 -1.577 . . . . 1.0 109.803 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 27.1 t -58.6 -32.39 68.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 124.103 0.877 . . . . 1.0 109.525 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.08 -46.12 71.95 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 114.196 -1.366 . . . . 1.0 109.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.0 -42.76 80.89 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 113.341 -1.754 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -63.74 -50.92 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.5 m -61.77 -25.26 67.36 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 123.836 0.71 . . . . 1.0 111.242 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -76.0 -32.46 59.43 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 124.099 0.874 . . . . 1.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -98.16 -1.3 42.51 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 120.425 -0.51 . . . . 1.0 111.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 5.5 mp -111.93 -68.65 0.92 Allowed 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.767 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -117.72 46.7 1.69 Allowed 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 114.285 -1.325 . . . . 1.0 112.114 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.5 t30 19.49 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 p -132.79 161.56 33.77 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.59 -1.641 . . . . 1.0 110.299 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -122.77 1.59 9.39 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 114.512 -1.222 . . . . 1.0 109.981 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -105.04 74.72 1.13 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 122.292 1.044 . . . . 1.0 111.606 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.96 172.3 19.08 Favored Glycine 0 N--CA 1.481 1.696 0 CA-C-N 113.157 -1.838 . . . . 1.0 109.076 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -134.79 157.39 46.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 124.156 0.562 . . . . 1.0 110.728 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.08 145.57 29.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 124.004 0.815 . . . . 1.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ptm -157.2 135.02 10.84 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 114.509 -1.223 . . . . 1.0 108.592 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 25.15 70.53 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 CA-C-O 124.031 1.872 . . . . 1.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.11 47.23 0.18 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.131 -3.668 . . . . 1.0 114.593 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -144.51 148.47 34.53 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 111.508 -2.587 . . . . 1.0 106.364 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.5 t -106.08 149.16 26.99 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.388 0.884 . . . . 1.0 113.388 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.76 151.6 50.17 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.603 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 m -124.7 151.32 45.14 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 107.929 -1.138 . . . . 1.0 107.929 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -100.97 -34.56 9.72 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.493 1.682 0 CA-C-N 114.405 -1.27 . . . . 1.0 109.011 179.716 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 121.238 0.542 . . . . 1.0 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -19.0 133.69 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 N-CA-C 117.825 2.528 . . . . 1.0 117.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 p -137.07 178.5 7.03 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 113.519 -1.673 . . . . 1.0 110.437 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -111.46 41.97 1.78 Allowed 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.192 -2.151 . . . . 1.0 105.192 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.69 163.04 12.81 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 104.764 -2.31 . . . . 1.0 104.764 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -106.86 162.6 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 114.534 1.309 . . . . 1.0 114.534 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 p -138.96 175.01 9.91 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 112.149 -2.296 . . . . 1.0 110.618 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.7 m -123.46 -46.98 2.0 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 101.418 -3.549 . . . . 1.0 101.418 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.01 170.6 15.75 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 112.946 -1.934 . . . . 1.0 109.603 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -75.64 -46.19 32.97 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 104.838 -2.282 . . . . 1.0 104.838 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 23.1 t-20 -52.68 -33.26 46.58 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 111.925 -2.398 . . . . 1.0 109.273 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -83.38 -39.06 21.15 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.178 -1.828 . . . . 1.0 107.947 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.7 t -54.5 -29.7 51.06 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 124.295 0.997 . . . . 1.0 109.418 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 42.0 m0 -57.45 -49.82 75.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 124.408 1.067 . . . . 1.0 108.772 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -58.01 -46.31 85.47 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.291 -1.777 . . . . 1.0 109.791 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.59 -40.32 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-N 114.515 -1.221 . . . . 1.0 108.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.15 -26.09 61.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 124.011 0.819 . . . . 1.0 110.77 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -75.51 -30.52 59.85 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.078 -0.965 . . . . 1.0 110.128 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -100.88 13.04 36.37 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.101 0.953 . . . . 1.0 110.557 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 mp -113.76 -71.99 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 112.863 -1.971 . . . . 1.0 108.815 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -130.49 51.61 2.1 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.954 -1.93 . . . . 1.0 110.268 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 26.44 52.28 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 115.45 1.648 . . . . 1.0 115.45 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -126.58 158.62 35.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.954 -1.475 . . . . 1.0 111.481 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.83 10.54 4.68 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.125 -0.943 . . . . 1.0 112.03 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.552 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 1.1 mpt_? -110.94 67.16 0.64 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.87 0.843 . . . . 1.0 111.86 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.51 167.06 17.98 Favored Glycine 0 N--CA 1.483 1.817 0 CA-C-N 113.6 -1.636 . . . . 1.0 111.869 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -136.82 164.08 29.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.029 -1.1 . . . . 1.0 108.029 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -100.69 126.7 47.24 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 47.5 mtp -124.15 107.67 11.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.549 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 42.41 57.45 3.39 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 122.899 1.333 . . . . 1.0 110.355 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.25 31.54 20.24 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.965 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.91 110.74 11.0 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 106.631 -1.618 . . . . 1.0 106.631 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.43 134.26 52.14 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 119.534 -0.867 . . . . 1.0 108.928 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -120.87 132.09 54.78 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 105.141 -2.17 . . . . 1.0 105.141 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 33.6 m -113.03 138.53 49.75 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 105.357 -2.09 . . . . 1.0 105.357 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.55 -65.33 1.17 Allowed 'General case' 0 C--N 1.309 -1.178 0 O-C-N 123.914 0.759 . . . . 1.0 110.658 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 N--CA 1.499 1.982 0 CA-C-O 117.01 -1.471 . . . . 1.0 110.399 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 121.588 0.709 . . . . 1.0 111.782 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 34' ' ' ARG . 52.3 t80 -55.59 155.9 5.19 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 114.182 -1.372 . . . . 1.0 111.994 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.2 p -123.8 176.39 6.31 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 123.826 0.704 . . . . 1.0 109.406 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -113.01 35.95 3.71 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 113.491 -1.686 . . . . 1.0 106.899 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -113.58 165.03 12.91 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 113.874 -1.512 . . . . 1.0 108.426 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -105.24 158.37 16.65 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 124.223 0.952 . . . . 1.0 113.495 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 170.37 15.83 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 113.121 -1.854 . . . . 1.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.0 m -119.83 -45.0 2.5 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 102.954 -2.98 . . . . 1.0 102.954 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.09 169.37 17.92 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 113.332 -1.758 . . . . 1.0 110.599 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -45.45 65.4 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 104.033 -2.58 . . . . 1.0 104.033 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -48.37 -31.97 6.89 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 111.92 -2.4 . . . . 1.0 111.131 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.69 -37.15 14.79 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 112.869 -1.969 . . . . 1.0 108.882 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -55.34 -29.8 59.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 124.308 1.005 . . . . 1.0 109.052 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -59.58 -48.64 80.88 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 114.29 -1.323 . . . . 1.0 108.706 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -54.6 -43.83 72.51 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.057 -1.429 . . . . 1.0 109.473 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -61.36 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-N 114.239 -1.346 . . . . 1.0 108.325 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.93 -20.44 63.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 124.09 0.869 . . . . 1.0 111.528 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.49 -29.38 37.37 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 124.143 0.902 . . . . 1.0 109.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -99.91 2.63 43.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 123.746 0.654 . . . . 1.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 2.8 mp -111.59 -69.85 0.84 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 113.98 -1.464 . . . . 1.0 108.65 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -126.87 55.47 1.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 113.472 -1.695 . . . . 1.0 112.042 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 17.72 50.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 118.422 2.749 . . . . 1.0 118.422 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -129.56 159.61 35.81 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 113.68 -1.6 . . . . 1.0 111.435 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 14.5 t30 -123.19 16.5 9.89 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 113.715 -1.584 . . . . 1.0 108.343 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.5 mpt_? -112.98 74.01 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.771 -1.559 . . . . 1.0 110.468 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.33 168.04 20.34 Favored Glycine 0 N--CA 1.482 1.71 0 CA-C-N 113.634 -1.621 . . . . 1.0 111.613 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -133.71 144.84 49.38 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 114.201 -1.0 . . . . 1.0 111.081 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -104.16 122.0 44.43 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 123.955 0.785 . . . . 1.0 110.995 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.7 mtm -133.48 130.43 38.57 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 106.388 -1.708 . . . . 1.0 106.388 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 34.1 66.25 0.27 Allowed 'General case' 0 N--CA 1.505 2.285 0 O-C-N 124.829 1.331 . . . . 1.0 109.392 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 35.69 43.49 0.17 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 111.505 -2.589 . . . . 1.0 114.595 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 9.3 mtmp? -134.63 147.61 50.21 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 104.552 -2.388 . . . . 1.0 104.552 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.19 152.95 22.81 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.026 1.121 . . . . 1.0 114.026 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -128.2 147.41 50.57 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 113.143 -1.844 . . . . 1.0 107.406 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 51.1 m -128.47 164.48 22.66 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.564 -0.902 . . . . 1.0 108.564 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -108.56 -28.85 9.07 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.687 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.503 2.207 0 O-C-N 125.425 1.703 . . . . 1.0 115.504 179.678 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 34' ' ' ARG . 48.9 t80 -54.49 157.67 2.78 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 114.798 -1.092 . . . . 1.0 111.248 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -122.76 176.29 6.05 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.441 0.639 . . . . 1.0 109.769 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -114.97 32.44 6.03 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 113.574 -1.648 . . . . 1.0 107.765 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -114.23 164.98 13.16 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 113.747 -1.57 . . . . 1.0 109.235 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -101.44 163.64 12.17 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.797 -1.092 . . . . 1.0 112.681 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.1 p -137.83 168.27 20.03 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.33 -1.759 . . . . 1.0 110.799 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -121.04 -48.03 2.25 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 102.302 -3.221 . . . . 1.0 102.302 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.46 166.06 26.75 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.03 -1.896 . . . . 1.0 108.54 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.6 t -58.38 -44.46 88.9 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 106.384 -1.71 . . . . 1.0 106.384 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.2 t-20 -49.07 -38.76 25.27 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 111.643 -2.526 . . . . 1.0 111.491 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.35 -32.57 26.17 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.189 -1.369 . . . . 1.0 109.907 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.12 -34.48 72.09 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.409 -0.96 . . . . 1.0 108.409 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.467 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 30.2 m0 -55.63 -41.43 73.53 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.743 -1.117 . . . . 1.0 109.946 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -57.63 -43.13 84.6 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.203 -1.362 . . . . 1.0 110.107 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -63.64 -53.47 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 106.225 -1.769 . . . . 1.0 106.225 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.1 m -50.66 -33.97 24.64 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.866 -1.061 . . . . 1.0 111.265 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmpt? -74.68 -35.68 62.78 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.619 -1.628 . . . . 1.0 111.825 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -97.29 3.77 51.12 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.127 0.489 . . . . 1.0 111.807 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -111.25 -65.06 1.21 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 114.377 -1.283 . . . . 1.0 108.326 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -131.91 52.91 2.03 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.992 -1.458 . . . . 1.0 111.869 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 18.87 55.15 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.411 2.004 . . . . 1.0 116.411 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -129.03 163.19 25.93 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.201 -1.818 . . . . 1.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.538 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 16.1 t30 -129.94 13.02 5.76 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.534 -1.212 . . . . 1.0 110.181 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.538 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.19 72.79 0.95 Allowed 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.177 -1.374 . . . . 1.0 111.083 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.79 166.52 22.53 Favored Glycine 0 N--CA 1.484 1.85 0 CA-C-N 115.121 -0.945 . . . . 1.0 112.886 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -133.37 155.22 49.86 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 114.112 -1.044 . . . . 1.0 110.575 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -106.83 116.82 32.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 124.696 1.248 . . . . 1.0 111.158 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.7 mtm -132.21 126.4 33.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 124.148 0.905 . . . . 1.0 108.572 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 39.91 59.27 1.96 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 122.577 1.18 . . . . 1.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt 46.0 37.75 4.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 112.232 -2.258 . . . . 1.0 114.053 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.77 153.94 50.74 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.764 -1.939 . . . . 1.0 105.764 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.0 t -110.73 145.27 38.36 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.786 -0.766 . . . . 1.0 112.684 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -125.47 131.88 52.78 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.857 -2.275 . . . . 1.0 104.857 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 64.1 m -121.44 165.54 15.43 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.182 0.515 . . . . 1.0 111.349 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -117.68 -165.75 1.12 Allowed 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.537 -1.211 . . . . 1.0 108.456 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.3 m . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 116.474 -1.727 . . . . 1.0 109.294 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -47.48 154.66 0.42 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 113.863 -1.517 . . . . 1.0 111.826 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.0 p -123.35 172.25 8.81 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -117.01 37.83 3.71 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.341 -1.3 . . . . 1.0 108.728 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -116.58 165.72 12.93 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 113.833 -1.531 . . . . 1.0 107.815 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.457 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 67.2 m -98.41 163.22 12.78 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 112.069 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.0 p -139.19 168.89 18.82 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.766 -1.561 . . . . 1.0 111.225 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -119.48 -47.81 2.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.318 -3.215 . . . . 1.0 102.318 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.54 168.92 20.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.002 -1.908 . . . . 1.0 109.327 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -57.91 -43.19 86.05 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 106.922 -1.51 . . . . 1.0 106.922 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.459 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 24.1 t-20 -49.23 -39.23 29.25 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 111.928 -2.396 . . . . 1.0 111.403 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -33.97 27.16 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.247 -1.342 . . . . 1.0 109.371 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 42.9 t -58.61 -33.6 70.19 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 123.918 0.761 . . . . 1.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.459 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 29.2 m0 -55.63 -43.5 76.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 124.066 0.854 . . . . 1.0 109.219 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 t -58.98 -44.2 91.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 113.806 -1.543 . . . . 1.0 109.746 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.75 -47.6 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' HA3' ' A' ' 26' ' ' GLY . 22.6 m -58.03 -37.79 75.02 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 114.393 -1.276 . . . . 1.0 110.792 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.679 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -72.48 -35.79 68.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 113.389 -1.732 . . . . 1.0 114.371 -179.728 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HB3' ' HZ3' ' A' ' 18' ' ' LYS . 12.4 ptp180 -91.42 -0.85 57.69 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.974 0.731 . . . . 1.0 112.974 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.99 -69.41 0.87 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.541 -1.281 . . . . 1.0 107.541 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -125.5 54.68 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.894 -1.503 . . . . 1.0 113.206 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.2 t30 18.71 48.02 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 116.972 2.212 . . . . 1.0 116.972 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -118.23 162.75 17.74 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 113.678 -1.601 . . . . 1.0 109.596 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 10.1 t30 -133.42 24.52 4.11 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 24' ' ' ASN . 1.2 mpt_? -112.32 67.59 0.66 Allowed 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 114.006 -1.452 . . . . 1.0 111.6 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -127.97 164.06 21.42 Favored Glycine 0 N--CA 1.484 1.883 0 CA-C-N 115.274 -0.876 . . . . 1.0 114.289 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 13.9 ptmm? -137.26 158.38 44.55 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.22 -1.49 . . . . 1.0 109.292 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -107.52 132.16 53.54 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.619 0.97 . . . . 1.0 113.619 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptp -145.42 133.17 21.08 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.896 -1.52 . . . . 1.0 106.896 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.52 64.34 0.4 Allowed 'General case' 0 N--CA 1.508 2.436 0 O-C-N 124.293 0.996 . . . . 1.0 109.484 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.85 44.81 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 112.129 -2.305 . . . . 1.0 113.978 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -137.3 147.99 46.04 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 111.582 -2.554 . . . . 1.0 105.147 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.7 t -105.64 143.26 34.05 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.885 -0.726 . . . . 1.0 112.882 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -125.48 115.42 20.21 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.006 -2.22 . . . . 1.0 105.006 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.4 m -110.82 164.67 12.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 123.992 0.808 . . . . 1.0 112.368 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -116.78 -165.93 1.11 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.925 -1.489 . . . . 1.0 108.921 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.6 p . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 115.916 -1.992 . . . . 1.0 110.68 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 107.317 -1.364 . . . . 1.0 107.317 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.502 ' HA ' ' H ' ' A' ' 35' ' ' CYS . 64.3 t80 -11.72 133.22 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.532 0 N-CA-C 117.47 2.396 . . . . 1.0 117.47 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.416 HG23 ' SG ' ' A' ' 35' ' ' CYS . 33.3 p -121.16 166.07 14.48 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 113.845 -1.525 . . . . 1.0 109.436 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.67 39.67 2.77 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 113.435 -1.711 . . . . 1.0 107.937 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -111.76 165.39 12.09 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 105.745 -1.946 . . . . 1.0 105.745 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.426 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 66.4 m -100.28 161.49 13.57 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.644 0.735 . . . . 1.0 111.938 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 30.5 p -138.16 170.79 15.41 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 113.401 -1.727 . . . . 1.0 110.571 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.5 m -122.1 -45.86 2.22 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 102.322 -3.214 . . . . 1.0 102.322 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.62 167.2 22.15 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.285 -1.78 . . . . 1.0 110.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 t -67.67 -45.08 76.26 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 104.795 -2.298 . . . . 1.0 104.795 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.474 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -50.81 -32.87 21.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 111.66 -2.518 . . . . 1.0 110.37 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -85.45 -36.46 20.59 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.441 -1.709 . . . . 1.0 108.736 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 t -56.62 -31.38 64.26 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.474 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.8 m0 -56.37 -44.71 80.42 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.42 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.9 t -58.63 -43.36 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 113.914 -1.494 . . . . 1.0 110.205 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.96 -51.24 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.774 -1.195 . . . . 1.0 107.774 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.33 -33.81 69.92 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.393 -1.276 . . . . 1.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HB3' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.97 -37.12 72.77 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 114.625 -1.17 . . . . 1.0 110.99 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.466 HH21 ' NZ ' ' A' ' 18' ' ' LYS . 12.5 ptp180 -92.49 -5.55 51.61 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 120.448 -0.501 . . . . 1.0 111.499 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -111.0 -71.89 0.74 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.212 0.945 . . . . 1.0 110.037 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -110.22 42.56 1.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.273 0.983 . . . . 1.0 111.785 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.5 t30 22.01 51.21 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 115.924 1.824 . . . . 1.0 115.924 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.437 ' HB ' ' HE ' ' A' ' 25' ' ' ARG . 1.6 p -133.12 163.13 29.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.469 -1.696 . . . . 1.0 110.865 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.63 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -127.23 15.21 7.25 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.075 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.63 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.04 65.6 0.62 Allowed 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.62 -1.173 . . . . 1.0 111.542 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.429 ' C ' ' HD3' ' A' ' 27' ' ' LYS . . . -122.58 161.71 16.67 Favored Glycine 0 N--CA 1.483 1.775 0 CA-C-N 113.459 -1.7 . . . . 1.0 112.407 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -125.97 151.67 46.71 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.398 -1.401 . . . . 1.0 110.018 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.41 116.98 33.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.141 0.9 . . . . 1.0 109.52 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.2 mtp -133.08 128.76 36.9 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 123.902 0.751 . . . . 1.0 109.0 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 39.12 61.12 1.34 Allowed 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 123.026 1.393 . . . . 1.0 109.923 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 45.9 36.85 3.14 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 mtpm? -134.23 157.93 45.03 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.843 -1.54 . . . . 1.0 106.843 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.2 t -113.32 139.41 48.87 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.588 0.709 . . . . 1.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -121.91 134.66 54.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.543 -2.762 . . . . 1.0 103.543 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.502 ' H ' ' HA ' ' A' ' 2' ' ' PHE . 55.8 m -121.88 160.86 23.88 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -118.22 161.26 20.19 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 123.817 0.698 . . . . 1.0 109.446 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 116.829 2.159 . . . . 1.0 116.829 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 107.707 -1.22 . . . . 1.0 107.707 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -17.39 137.09 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 116.592 2.071 . . . . 1.0 116.592 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 p -120.68 174.73 6.4 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.263 -1.335 . . . . 1.0 110.562 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -117.26 40.6 2.99 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 112.995 -1.912 . . . . 1.0 107.035 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -110.7 167.73 10.01 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 112.69 -2.05 . . . . 1.0 107.836 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -106.49 160.16 15.62 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 124.348 1.03 . . . . 1.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -141.79 169.75 17.01 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.433 -1.712 . . . . 1.0 111.302 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -119.28 -44.78 2.57 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 102.91 -2.996 . . . . 1.0 102.91 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.49 169.23 18.15 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 113.531 -1.668 . . . . 1.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -73.1 -44.62 60.1 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 104.726 -2.324 . . . . 1.0 104.726 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.4 t-20 -51.84 -32.2 30.83 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 112.083 -2.326 . . . . 1.0 110.167 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.04 -38.03 18.28 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.031 -1.895 . . . . 1.0 108.458 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 t -55.88 -30.96 62.36 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.277 0.986 . . . . 1.0 109.208 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.443 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 33.0 m0 -58.99 -46.66 87.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.78 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.3 t -58.32 -44.37 88.61 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 113.836 -1.529 . . . . 1.0 109.886 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -58.73 -46.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 124.653 1.221 . . . . 1.0 108.16 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.8 m -63.09 -33.77 76.17 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.052 -0.976 . . . . 1.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 18' ' ' LYS . 6.7 ttpm? -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -96.0 -5.48 41.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 123.611 0.569 . . . . 1.0 112.065 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -111.16 -71.5 0.76 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 124.227 0.954 . . . . 1.0 109.164 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -110.2 42.68 1.5 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 124.539 1.149 . . . . 1.0 112.289 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 23.02 46.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 117.095 2.257 . . . . 1.0 117.095 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -131.64 166.46 21.4 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.469 -1.241 . . . . 1.0 111.025 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.545 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 14.5 t30 -126.13 13.29 7.78 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.992 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.545 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -105.92 68.54 0.78 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 114.085 -1.416 . . . . 1.0 109.544 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.07 163.98 15.31 Favored Glycine 0 N--CA 1.483 1.822 0 CA-C-N 114.599 -1.182 . . . . 1.0 114.085 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -135.27 145.88 48.0 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 113.331 -1.434 . . . . 1.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -104.14 127.05 51.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.488 0.493 . . . . 1.0 111.266 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptm -142.62 136.19 28.89 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.05 63.41 0.41 Allowed 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.661 1.226 . . . . 1.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.31 46.79 0.07 Allowed 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.743 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.89 149.0 47.38 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 111.496 -2.593 . . . . 1.0 105.139 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -110.2 144.33 39.02 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.373 1.249 . . . . 1.0 114.373 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -115.1 144.81 43.08 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 111.721 -2.491 . . . . 1.0 107.168 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.1 m -134.91 150.51 50.43 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 124.228 0.955 . . . . 1.0 108.601 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -123.64 -179.62 4.43 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 123.066 0.547 . . . . 1.0 110.79 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 p . . . . . 0 N--CA 1.503 2.183 0 N-CA-C 116.22 1.933 . . . . 1.0 116.22 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.411 ' CD ' ' HB2' ' A' ' 35' ' ' CYS . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 119.379 -0.343 . . . . 1.0 110.494 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -15.66 132.59 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.258 0 O-C-N 125.152 1.533 . . . . 1.0 114.606 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.496 HG23 ' SG ' ' A' ' 35' ' ' CYS . 44.3 p -115.22 172.4 7.1 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 115.415 -0.811 . . . . 1.0 110.507 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -118.84 39.29 3.55 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 112.974 -1.921 . . . . 1.0 108.544 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.45 163.15 13.46 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 104.112 -2.551 . . . . 1.0 104.112 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 47.2 t -93.11 159.34 15.33 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.677 0.751 . . . . 1.0 111.956 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.6 p -137.47 165.57 25.95 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 113.141 -1.845 . . . . 1.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -119.42 -47.35 2.45 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.584 -3.117 . . . . 1.0 102.584 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.72 168.95 19.48 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.078 -1.874 . . . . 1.0 109.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 t -62.11 -43.25 99.25 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.101 -1.814 . . . . 1.0 106.101 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 10.9 t-20 -48.35 -33.31 8.78 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 111.988 -2.369 . . . . 1.0 111.985 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.47 -34.17 14.92 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.209 -1.36 . . . . 1.0 109.024 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.71 -32.66 65.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 1.0 109.115 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 40.1 m0 -57.19 -46.1 83.13 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.37 -1.286 . . . . 1.0 109.484 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -56.36 -44.61 80.27 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 125.136 1.523 . . . . 1.0 110.678 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.31 -52.0 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 124.66 1.225 . . . . 1.0 107.889 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 63.4 m -64.36 -21.9 66.78 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.581 -1.19 . . . . 1.0 111.685 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -78.96 -32.2 45.3 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 124.055 0.847 . . . . 1.0 110.093 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -98.34 -1.15 42.37 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 123.618 0.574 . . . . 1.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -111.45 -70.29 0.82 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 114.525 -1.216 . . . . 1.0 108.937 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -119.34 48.12 1.56 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.362 1.038 . . . . 1.0 111.913 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 13.87 59.02 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 7.8 t -137.41 160.73 38.26 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 112.436 -2.165 . . . . 1.0 108.266 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.44 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -124.22 20.73 8.92 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 114.854 -1.066 . . . . 1.0 108.625 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -114.05 67.82 0.68 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 113.484 -1.689 . . . . 1.0 110.673 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.69 166.84 22.9 Favored Glycine 0 N--CA 1.482 1.728 0 CA-C-N 114.108 -1.406 . . . . 1.0 110.594 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -136.42 157.94 45.6 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 114.57 -0.815 . . . . 1.0 112.402 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.1 t -103.01 125.16 49.65 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 114.53 -1.214 . . . . 1.0 112.617 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.6 mtm -141.6 139.02 33.01 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 106.272 -1.751 . . . . 1.0 106.272 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 33.97 60.26 0.54 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 123.473 1.606 . . . . 1.0 112.227 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 tptm 43.13 36.37 0.96 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 111.491 -2.595 . . . . 1.0 114.808 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 22.2 pttm -139.57 156.33 46.95 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.4 -1.704 . . . . 1.0 106.4 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 1.1 tmt_? -123.11 145.11 48.85 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.297 -2.229 . . . . 1.0 106.617 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.496 ' SG ' HG23 ' A' ' 3' ' ' THR . 38.3 m -123.63 163.58 20.77 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.372 -0.973 . . . . 1.0 108.372 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -111.1 84.65 1.97 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.077 1.51 . . . . 1.0 115.077 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.505 2.316 0 CA-C-O 116.038 -1.934 . . . . 1.0 114.026 179.629 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 114.063 1.134 . . . . 1.0 114.063 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -48.14 158.56 0.24 Allowed 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 114.643 -1.162 . . . . 1.0 111.9 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -122.74 176.8 5.76 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.769 0.795 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -114.82 38.46 3.13 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 113.078 -1.874 . . . . 1.0 106.257 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -114.89 166.0 12.24 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.5 -1.682 . . . . 1.0 108.646 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -106.3 160.52 15.3 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.443 1.089 . . . . 1.0 111.771 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.37 167.33 21.81 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 112.725 -2.034 . . . . 1.0 110.656 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.8 m -117.75 -47.14 2.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 102.206 -3.257 . . . . 1.0 102.206 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.31 167.5 22.29 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.085 -1.871 . . . . 1.0 108.919 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -63.07 -44.23 96.36 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.459 -1.682 . . . . 1.0 106.459 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.9 t-20 -48.12 -38.26 17.34 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 112.03 -2.35 . . . . 1.0 111.676 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.55 -35.33 22.91 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.112 -1.403 . . . . 1.0 108.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.41 -29.8 64.41 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 124.052 0.845 . . . . 1.0 109.312 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 32.7 m0 -59.3 -48.48 81.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.239 0.962 . . . . 1.0 108.585 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -55.85 -45.25 78.51 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 113.97 -1.468 . . . . 1.0 109.754 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.61 -44.52 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-N 114.334 -1.303 . . . . 1.0 108.513 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.2 m -73.34 -18.43 61.19 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -81.31 -27.59 34.96 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.928 0.768 . . . . 1.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -100.18 -7.07 25.18 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.837 0.711 . . . . 1.0 109.904 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 7.0 mp -110.79 -71.53 0.76 Allowed 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.33 1.019 . . . . 1.0 109.903 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.57 40.36 1.72 Allowed 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.369 -1.287 . . . . 1.0 111.928 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 17.4 56.57 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 116.414 2.005 . . . . 1.0 116.414 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.2 t -139.26 166.43 24.55 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.832 -1.985 . . . . 1.0 108.989 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.509 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 21.2 t30 -120.57 8.21 10.67 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.16 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.509 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.24 80.17 1.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.452 -1.249 . . . . 1.0 109.6 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.53 165.09 20.76 Favored Glycine 0 N--CA 1.482 1.754 0 CA-C-N 114.654 -1.157 . . . . 1.0 111.834 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -132.96 143.38 49.42 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 114.172 -1.014 . . . . 1.0 111.297 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -101.57 122.47 43.9 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.503 0.502 . . . . 1.0 109.975 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -139.88 134.61 31.88 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.922 -1.14 . . . . 1.0 107.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 34.09 63.2 0.42 Allowed 'General case' 0 N--CA 1.507 2.405 0 O-C-N 124.683 1.239 . . . . 1.0 109.345 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.9 47.02 0.16 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 112.112 -2.313 . . . . 1.0 113.388 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -137.76 150.44 47.26 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-N 111.838 -2.437 . . . . 1.0 105.234 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.31 146.52 32.82 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.787 1.402 . . . . 1.0 114.787 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.3 tpt180 -118.11 147.79 42.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 112.587 -2.097 . . . . 1.0 108.087 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.414 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 39.7 m -130.08 153.45 48.46 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.772 -1.195 . . . . 1.0 107.772 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 37' ' ' SER . 19.0 m-85 -116.01 173.77 6.39 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 36' ' ' TYR . 31.5 m . . . . . 0 N--CA 1.5 2.028 0 O-C-N 125.814 1.946 . . . . 1.0 108.791 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 111.344 0.127 . . . . 1.0 111.344 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.534 ' H ' HH11 ' A' ' 34' ' ' ARG . 54.1 t80 -23.79 140.3 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 115.562 1.69 . . . . 1.0 115.562 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -124.94 -176.38 3.54 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 114.67 -1.15 . . . . 1.0 111.993 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -111.6 36.21 3.35 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 112.44 -2.164 . . . . 1.0 108.188 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -102.5 158.49 16.18 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 105.074 -2.195 . . . . 1.0 105.074 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -98.63 158.5 15.57 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 116.426 2.01 . . . . 1.0 116.426 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 23.0 p -137.84 167.36 21.89 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 112.883 -1.962 . . . . 1.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -118.28 -47.62 2.55 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 102.355 -3.202 . . . . 1.0 102.355 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.54 168.27 21.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 112.751 -2.022 . . . . 1.0 108.173 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -43.78 94.04 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 105.436 -2.061 . . . . 1.0 105.436 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -47.66 -34.15 7.7 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 111.657 -2.52 . . . . 1.0 111.671 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.54 -34.66 14.67 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.221 -1.354 . . . . 1.0 108.528 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.9 t -56.94 -25.63 57.98 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.388 1.055 . . . . 1.0 109.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -65.64 -52.19 53.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.34 1.025 . . . . 1.0 108.571 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 t -54.34 -41.96 69.7 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 114.322 -1.308 . . . . 1.0 109.606 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -66.63 -46.68 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 113.861 -1.518 . . . . 1.0 107.613 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 69.2 m -65.39 -20.59 66.44 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 124.267 0.979 . . . . 1.0 112.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -72.06 -36.99 69.72 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 105.66 -1.978 . . . . 1.0 105.66 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -99.46 9.23 43.64 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.796 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -114.04 -69.38 0.86 Allowed 'General case' 0 N--CA 1.504 2.24 0 CA-C-N 114.246 -1.343 . . . . 1.0 108.927 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.74 45.35 2.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 18.97 59.48 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.985 1.846 . . . . 1.0 115.985 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.422 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 7.6 t -141.2 166.65 24.2 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 112.279 -2.237 . . . . 1.0 109.444 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.529 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -125.15 4.6 7.87 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 114.845 -1.07 . . . . 1.0 109.859 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -109.93 72.84 0.81 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.462 1.125 . . . . 1.0 108.943 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.28 169.09 14.85 Favored Glycine 0 N--CA 1.482 1.741 0 CA-C-N 112.881 -1.963 . . . . 1.0 110.785 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.82 148.2 52.31 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.6 t -102.78 122.07 43.74 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.033 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -138.01 133.21 33.33 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.534 -1.284 . . . . 1.0 107.534 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 34.08 65.72 0.3 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 124.662 1.226 . . . . 1.0 109.077 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.33 45.72 0.09 Allowed 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.163 -2.29 . . . . 1.0 113.946 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 43.5 mmtm -136.95 152.39 50.12 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 111.971 -2.377 . . . . 1.0 105.563 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 42.2 t -110.86 144.36 40.01 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.292 1.59 . . . . 1.0 115.292 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.534 HH11 ' H ' ' A' ' 2' ' ' PHE . 8.8 tpt180 -116.95 145.93 43.31 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 111.374 -2.648 . . . . 1.0 108.321 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.8 m -132.5 149.62 52.3 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 105.668 -1.975 . . . . 1.0 105.668 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -122.46 -82.76 0.65 Allowed 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.241 0.46 . . . . 1.0 112.241 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 117.198 -1.382 . . . . 1.0 110.239 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.844 0.831 . . . . 1.0 110.405 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -53.45 161.57 0.96 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 113.873 -1.512 . . . . 1.0 112.217 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.3 p -124.45 177.29 5.98 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.921 0.867 . . . . 1.0 110.435 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -116.38 33.48 5.53 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 105.635 -1.987 . . . . 1.0 105.635 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.99 160.14 24.16 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 106.744 -1.576 . . . . 1.0 106.744 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 50.1 m -94.78 161.17 14.28 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 123.784 0.677 . . . . 1.0 112.488 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 20.5 p -138.57 166.22 24.88 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.263 -1.335 . . . . 1.0 110.767 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.7 m -120.12 -48.26 2.34 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 102.54 -3.133 . . . . 1.0 102.54 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.69 167.48 23.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 112.983 -1.917 . . . . 1.0 108.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -62.23 -41.91 98.84 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 105.866 -1.901 . . . . 1.0 105.866 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.47 -33.97 15.7 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 111.697 -2.501 . . . . 1.0 111.543 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.55 -33.87 15.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.335 -1.302 . . . . 1.0 108.972 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t -57.16 -32.71 66.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 124.246 0.966 . . . . 1.0 109.376 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -54.91 -47.7 74.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 114.597 -1.183 . . . . 1.0 109.795 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -53.37 -42.84 67.29 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 125.415 1.697 . . . . 1.0 111.105 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -66.3 -50.86 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 114.368 -1.287 . . . . 1.0 107.733 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 78.2 m -66.25 -15.84 63.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 124.286 0.991 . . . . 1.0 111.958 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -81.41 -29.85 33.76 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 16' ' ' ILE . 12.9 ptp180 -102.81 5.18 38.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.826 0.704 . . . . 1.0 110.076 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -112.8 -66.24 1.1 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 114.14 -1.391 . . . . 1.0 109.007 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -127.2 48.09 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.488 -1.687 . . . . 1.0 111.538 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 16.84 57.64 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 113.399 -1.728 . . . . 1.0 115.449 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 10.1 t -137.25 163.7 30.3 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 112.691 -2.05 . . . . 1.0 111.013 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.9 20.26 7.04 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.681 -1.6 . . . . 1.0 107.361 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.62 66.28 0.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.201 -1.818 . . . . 1.0 109.017 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.63 165.68 20.61 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 113.485 -1.689 . . . . 1.0 111.491 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -135.07 155.36 50.86 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 114.095 -1.052 . . . . 1.0 112.159 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -103.46 129.18 50.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.6 ptm -143.83 137.69 28.15 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.871 -1.529 . . . . 1.0 106.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 27.75 68.53 0.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 123.777 1.751 . . . . 1.0 110.681 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.44 44.87 0.07 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.572 -3.467 . . . . 1.0 114.514 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 34.6 mtmm -143.49 155.48 44.36 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 112.188 -2.278 . . . . 1.0 107.608 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.3 t -103.67 152.99 21.15 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 117.019 2.229 . . . . 1.0 117.019 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -124.5 143.65 50.54 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 112.151 -2.295 . . . . 1.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.3 m -127.28 155.55 43.33 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 105.918 -1.882 . . . . 1.0 105.918 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -126.86 -62.44 1.12 Allowed 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 113.176 0.806 . . . . 1.0 113.176 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.496 1.863 0 O-C-N 123.99 0.806 . . . . 1.0 109.338 -179.849 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.45 ' N ' ' HB2' ' A' ' 35' ' ' CYS . . . . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.352 0.12 . . . . 1.0 110.821 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -25.89 138.23 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 125.379 1.674 . . . . 1.0 113.234 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 p -119.28 171.62 8.18 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.865 0.841 . . . . 1.0 110.546 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -118.86 38.23 3.86 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.706 -2.043 . . . . 1.0 108.463 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.63 159.69 20.17 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 104.931 -2.248 . . . . 1.0 104.931 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 m -96.05 159.58 14.89 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 121.825 0.821 . . . . 1.0 112.284 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.0 p -140.29 168.14 20.51 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.005 -1.907 . . . . 1.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -120.13 -44.07 2.51 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 103.58 -2.748 . . . . 1.0 103.58 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.26 168.39 19.26 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.448 -1.705 . . . . 1.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 t -71.27 -44.35 65.43 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 105.092 -2.188 . . . . 1.0 105.092 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.444 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.1 t-20 -51.64 -30.86 23.17 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 112.379 -2.191 . . . . 1.0 110.385 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -88.3 -36.26 16.77 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.3 -1.773 . . . . 1.0 108.64 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -56.46 -32.54 65.06 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 124.064 0.852 . . . . 1.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.444 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.2 m0 -54.8 -46.29 74.48 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 114.59 -1.186 . . . . 1.0 109.276 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.6 t -55.75 -41.33 73.8 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.327 -1.761 . . . . 1.0 110.309 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.22 -49.3 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 124.473 1.108 . . . . 1.0 108.011 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.72 -24.62 67.76 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.71 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -43.72 24.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 124.14 0.9 . . . . 1.0 111.44 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HG3' ' CD1' ' A' ' 20' ' ' LEU . 11.7 ptp180 -82.95 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 120.127 -0.629 . . . . 1.0 112.476 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HB3' ' ND1' ' A' ' 21' ' ' HIS . 10.4 mp -111.59 -64.94 1.22 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 124.113 0.883 . . . . 1.0 110.722 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 20' ' ' LEU . 55.6 m80 -109.85 37.51 2.64 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.573 -1.649 . . . . 1.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 23.5 49.58 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 116.106 1.891 . . . . 1.0 116.106 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 p -134.3 162.75 31.31 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 113.859 -1.518 . . . . 1.0 110.351 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.463 ' C ' ' HE ' ' A' ' 25' ' ' ARG . 20.6 t-20 -126.78 -0.58 6.69 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.406 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HE ' ' C ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -97.26 70.91 2.36 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.992 -179.743 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.83 168.92 15.12 Favored Glycine 0 N--CA 1.487 2.047 0 CA-C-N 114.496 -1.229 . . . . 1.0 112.563 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -131.36 147.08 52.53 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 114.079 -1.061 . . . . 1.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.16 135.9 44.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 123.967 0.792 . . . . 1.0 110.585 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.4 ptm -156.96 146.54 20.56 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.215 -1.402 . . . . 1.0 107.215 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 32.88 58.52 0.44 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-O 123.365 1.555 . . . . 1.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 36.23 42.56 0.18 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.308 -2.678 . . . . 1.0 114.93 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -141.87 153.22 44.29 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.43 146.21 33.44 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 114.028 1.122 . . . . 1.0 114.028 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 1.1 tmt_? -126.94 154.43 44.52 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 112.894 -1.957 . . . . 1.0 107.049 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' HB2' ' N ' ' A' ' 1' ' ' PCA . 23.4 m -127.12 146.95 50.2 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.775 -1.195 . . . . 1.0 107.775 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.492 ' CE1' ' HD2' ' A' ' 34' ' ' ARG . 40.0 m-85 -111.25 -59.81 1.92 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.166 -1.049 . . . . 1.0 108.166 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 104.773 -2.306 . . . . 1.0 104.773 179.708 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 119.462 -0.304 . . . . 1.0 110.539 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.412 ' HA ' ' H ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -16.1 132.43 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.233 0 O-C-N 125.609 1.818 . . . . 1.0 114.7 179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.426 HG23 ' SG ' ' A' ' 35' ' ' CYS . 36.2 p -116.31 169.34 9.37 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 122.128 0.965 . . . . 1.0 110.023 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -118.6 42.34 2.78 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 112.649 -2.069 . . . . 1.0 107.055 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -113.0 165.58 12.21 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 112.54 -2.118 . . . . 1.0 106.567 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -102.51 158.02 16.51 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.064 0.853 . . . . 1.0 111.619 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.0 p -143.57 169.41 17.77 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.823 -1.535 . . . . 1.0 111.329 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -118.73 -43.79 2.66 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 110.974 -2.83 . . . . 1.0 103.583 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.87 169.12 18.09 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.553 -1.658 . . . . 1.0 111.054 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.4 m -75.99 -43.62 43.57 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -53.39 -31.21 43.8 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 112.278 -2.237 . . . . 1.0 109.355 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -86.8 -38.09 17.19 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 113.077 -1.874 . . . . 1.0 107.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 t -55.25 -29.44 58.07 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 124.349 1.031 . . . . 1.0 109.114 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.429 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 37.9 m0 -59.88 -47.14 86.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 124.276 0.985 . . . . 1.0 109.16 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -57.31 -44.16 83.91 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 114.048 -1.433 . . . . 1.0 109.72 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -59.82 -50.81 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 CA-C-N 114.491 -1.232 . . . . 1.0 107.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -56.61 -34.83 67.61 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.484 -1.235 . . . . 1.0 111.365 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -72.3 -34.94 68.52 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.148 -1.387 . . . . 1.0 112.028 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -95.14 0.0 53.77 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 3.3 mp -111.7 -69.06 0.89 Allowed 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 114.548 -1.206 . . . . 1.0 109.811 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -121.76 48.32 1.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.605 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.2 t30 18.66 54.62 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 116.607 2.077 . . . . 1.0 116.607 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -128.69 163.95 24.0 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 112.841 -1.981 . . . . 1.0 110.084 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.563 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 23.0 t30 -130.26 -2.48 4.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 113.343 0.868 . . . . 1.0 113.343 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.58 74.67 1.02 Allowed 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.938 0.875 . . . . 1.0 111.525 -179.677 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 168.19 15.85 Favored Glycine 0 N--CA 1.483 1.789 0 CA-C-N 113.649 -1.614 . . . . 1.0 111.368 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -131.65 149.84 52.35 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 114.229 -0.986 . . . . 1.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.56 144.96 30.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 123.741 0.651 . . . . 1.0 110.639 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 ptp -167.77 151.06 6.01 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.15 -1.426 . . . . 1.0 107.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 31.08 61.16 0.24 Allowed 'General case' 0 N--CA 1.509 2.488 0 O-C-N 124.579 1.175 . . . . 1.0 110.407 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.35 43.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 111.706 -2.497 . . . . 1.0 114.209 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 58.4 pttt -141.59 152.13 43.77 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 111.621 -2.536 . . . . 1.0 105.75 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.909 0.862 . . . . 1.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.06 138.28 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.244 -2.132 . . . . 1.0 105.244 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.426 ' SG ' HG23 ' A' ' 3' ' ' THR . 40.2 m -128.71 156.91 42.75 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -109.62 168.74 9.18 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.107 -1.071 . . . . 1.0 108.107 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.503 2.192 0 O-C-N 125.529 1.768 . . . . 1.0 115.283 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -12.46 134.58 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 116.516 2.043 . . . . 1.0 116.516 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.48 HG23 ' SG ' ' A' ' 35' ' ' CYS . 23.0 p -117.22 174.47 6.1 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.236 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -119.75 41.48 3.14 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.388 -1.733 . . . . 1.0 107.637 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.49 164.12 14.42 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 105.585 -2.006 . . . . 1.0 105.585 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 t -102.61 157.02 17.23 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 122.735 1.255 . . . . 1.0 113.624 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 23.7 p -146.81 168.26 21.86 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 111.891 -2.413 . . . . 1.0 109.435 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -115.01 -39.79 3.6 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 104.054 -2.573 . . . . 1.0 104.054 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.24 167.75 20.97 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 114.005 -1.452 . . . . 1.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 t -69.45 -42.59 74.72 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 105.842 -1.91 . . . . 1.0 105.842 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.2 t-20 -48.76 -36.76 17.2 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 112.785 -2.007 . . . . 1.0 111.14 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.57 -35.55 19.41 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.076 -1.42 . . . . 1.0 108.57 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -55.9 -30.15 61.13 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 124.023 0.827 . . . . 1.0 109.45 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 29.5 m0 -61.01 -47.38 86.71 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 114.743 -1.117 . . . . 1.0 108.088 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -57.97 -43.55 86.57 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 114.248 -1.342 . . . . 1.0 109.533 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -59.24 -46.36 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 107.659 -1.237 . . . . 1.0 107.659 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.11 -23.85 64.05 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 115.175 -0.921 . . . . 1.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -76.76 -28.71 55.81 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.837 0.711 . . . . 1.0 109.887 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -100.33 -5.31 27.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.641 0.588 . . . . 1.0 110.376 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.9 mp -111.35 -71.97 0.74 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 124.412 1.07 . . . . 1.0 109.559 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 15.3 m170 -108.17 40.92 1.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.695 1.247 . . . . 1.0 111.663 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 18.17 58.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.49 2.033 . . . . 1.0 116.49 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 t -143.7 163.57 32.9 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 112.365 -2.198 . . . . 1.0 108.277 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.554 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 13.9 t30 -120.66 20.3 11.76 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.941 0.876 . . . . 1.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.554 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -111.83 83.98 1.88 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 113.29 -1.777 . . . . 1.0 109.306 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.76 165.31 23.89 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 114.343 -1.298 . . . . 1.0 112.312 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -133.74 132.86 41.07 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 113.749 -1.225 . . . . 1.0 108.611 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.28 151.76 23.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.216 0.821 . . . . 1.0 113.216 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptm -178.35 153.58 0.75 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 124.699 1.25 . . . . 1.0 108.029 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 33.35 56.74 0.51 Allowed 'General case' 0 N--CA 1.506 2.348 0 CA-C-O 122.655 1.217 . . . . 1.0 111.325 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 37.15 42.5 0.27 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.124 -2.307 . . . . 1.0 114.03 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 57.7 pttt -142.82 151.69 41.42 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 105.057 -2.201 . . . . 1.0 105.057 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.06 152.39 31.09 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.842 0.829 . . . . 1.0 113.042 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -122.0 149.88 42.85 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.644 -2.071 . . . . 1.0 107.24 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.48 ' SG ' HG23 ' A' ' 3' ' ' THR . 59.6 m -131.67 165.52 23.53 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.69 0.619 . . . . 1.0 110.24 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -115.19 169.28 9.23 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.218 -0.901 . . . . 1.0 108.729 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 117.298 -1.334 . . . . 1.0 111.204 -179.846 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -7.9 128.27 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 117.316 2.339 . . . . 1.0 117.316 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.2 p -126.84 -176.96 3.85 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 112.916 -1.947 . . . . 1.0 111.517 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.89 36.41 3.32 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 112.031 -2.349 . . . . 1.0 106.772 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -100.72 151.81 21.22 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 104.993 -2.225 . . . . 1.0 104.993 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 m -102.49 153.66 19.85 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.282 2.327 . . . . 1.0 117.282 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 p -140.55 169.73 17.1 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 111.546 -2.57 . . . . 1.0 109.879 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 m -117.88 -39.39 3.11 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 111.761 -2.472 . . . . 1.0 104.731 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.59 169.78 16.79 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 124.986 1.429 . . . . 1.0 111.843 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -78.24 -44.99 24.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.474 -2.417 . . . . 1.0 104.474 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.5 t-20 -52.52 -32.24 39.44 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 112.134 -2.303 . . . . 1.0 109.305 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -86.45 -38.56 17.2 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 112.935 -1.939 . . . . 1.0 107.576 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.9 t -55.62 -26.27 43.25 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.214 0.947 . . . . 1.0 109.241 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 34.6 m0 -64.53 -51.8 61.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 124.198 0.936 . . . . 1.0 108.66 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.7 t -53.87 -45.66 71.08 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.803 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.6 mp -60.43 -43.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 CA-C-N 112.982 -1.917 . . . . 1.0 108.471 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.1 m -67.1 -28.78 68.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.124 0.89 . . . . 1.0 111.747 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -72.2 -29.34 63.89 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.203 -0.908 . . . . 1.0 109.414 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -103.14 8.45 38.63 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 121.593 0.711 . . . . 1.0 111.03 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.6 mp -113.49 -71.51 0.75 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-N 113.743 -1.571 . . . . 1.0 108.978 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -126.35 49.07 2.04 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 113.072 -1.876 . . . . 1.0 110.281 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 t30 22.92 50.1 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.541 2.052 . . . . 1.0 116.541 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -131.6 167.08 20.04 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.915 -1.493 . . . . 1.0 111.563 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.515 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 9.6 t30 -126.89 16.47 7.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 113.665 -1.607 . . . . 1.0 108.547 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.558 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -111.5 64.61 0.62 Allowed 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 114.402 -1.272 . . . . 1.0 112.346 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.42 155.63 19.53 Favored Glycine 0 N--CA 1.481 1.677 0 CA-C-N 114.58 -1.191 . . . . 1.0 112.536 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.49 147.63 49.16 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 112.886 -1.657 . . . . 1.0 108.659 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -107.61 145.49 33.21 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.433 1.083 . . . . 1.0 112.285 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.415 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 22.0 ptm -166.16 151.21 8.29 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.2 -1.407 . . . . 1.0 107.2 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 30.85 59.36 0.24 Allowed 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 123.217 1.484 . . . . 1.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 36.76 43.97 0.31 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 111.684 -2.507 . . . . 1.0 114.481 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 29' ' ' MET . 61.2 pttt -144.81 149.06 34.79 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 112.837 -1.983 . . . . 1.0 106.404 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 t -112.97 145.49 40.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.745 0.653 . . . . 1.0 112.52 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -122.28 134.34 54.67 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 104.991 -2.226 . . . . 1.0 104.991 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 51.2 m -120.01 153.55 35.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.692 0.62 . . . . 1.0 111.089 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -116.78 -164.95 1.01 Allowed 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.523 -1.288 . . . . 1.0 107.523 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 109.057 -0.72 . . . . 1.0 109.057 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 112.562 0.578 . . . . 1.0 112.562 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.458 ' HA ' ' H ' ' A' ' 35' ' ' CYS . 86.4 t80 -18.91 141.49 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 116.754 2.131 . . . . 1.0 116.754 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.1 p -121.62 167.38 12.97 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 114.742 -1.117 . . . . 1.0 108.284 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -115.31 40.58 2.66 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 106.738 -1.579 . . . . 1.0 106.738 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -115.1 166.62 11.62 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 113.38 -1.736 . . . . 1.0 107.349 179.738 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 45.2 t -101.46 160.5 14.38 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 122.336 1.065 . . . . 1.0 112.101 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.11 169.77 17.18 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.364 -2.198 . . . . 1.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -115.66 -45.93 2.87 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 102.434 -3.172 . . . . 1.0 102.434 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.08 169.27 19.02 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 112.99 -1.914 . . . . 1.0 109.024 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -58.59 -42.29 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 106.457 -1.683 . . . . 1.0 106.457 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.473 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.1 t-20 -48.79 -38.39 21.87 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.112 -2.313 . . . . 1.0 111.388 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -84.51 -33.79 23.47 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.255 -1.339 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.6 t -57.23 -34.43 68.56 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.733 -0.84 . . . . 1.0 108.733 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.473 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 26.1 m0 -56.89 -44.19 82.07 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.193 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -58.66 -44.28 90.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.801 -1.545 . . . . 1.0 109.871 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.5 -48.49 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 124.57 1.169 . . . . 1.0 108.302 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.7 m -56.66 -38.5 72.27 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 113.988 -1.46 . . . . 1.0 110.602 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -73.08 -33.15 65.46 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 113.328 -1.76 . . . . 1.0 114.928 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -94.66 -0.52 54.33 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 113.293 0.849 . . . . 1.0 113.293 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -110.22 -68.8 0.9 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -125.92 55.63 1.45 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.817 -1.538 . . . . 1.0 113.422 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.6 t30 19.07 46.76 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.681 2.475 . . . . 1.0 117.681 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -117.14 165.37 13.48 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 114.075 -1.42 . . . . 1.0 108.927 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.506 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 18.6 t30 -131.65 -1.92 3.81 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 113.807 1.04 . . . . 1.0 113.807 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.506 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -100.86 77.47 1.86 Allowed 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 113.873 1.064 . . . . 1.0 113.873 -179.747 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 35' ' ' CYS . . . -123.77 168.16 15.98 Favored Glycine 0 N--CA 1.484 1.868 0 CA-C-N 113.796 -1.547 . . . . 1.0 111.795 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 148.72 51.68 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 113.936 -1.132 . . . . 1.0 108.853 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.31 121.9 45.15 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.549 0.944 . . . . 1.0 113.549 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 39.8 mtm -137.05 135.11 37.25 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 106.633 -1.617 . . . . 1.0 106.633 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.67 63.95 0.43 Allowed 'General case' 0 N--CA 1.506 2.346 0 O-C-N 124.944 1.403 . . . . 1.0 109.136 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.72 46.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 111.91 -2.405 . . . . 1.0 113.648 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -137.36 148.31 46.17 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 104.568 -2.382 . . . . 1.0 104.568 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.7 t -110.76 133.51 53.28 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.956 0.884 . . . . 1.0 113.315 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -117.26 107.0 13.89 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.909 -1.886 . . . . 1.0 105.909 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' H ' ' HA ' ' A' ' 2' ' ' PHE . 57.8 m -99.47 157.5 16.39 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 123.925 0.766 . . . . 1.0 111.08 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.19 172.53 7.23 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.995 -1.457 . . . . 1.0 107.968 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.494 1.754 0 O-C-N 123.958 0.786 . . . . 1.0 108.932 -179.923 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 112.046 0.387 . . . . 1.0 112.046 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.47 ' HA ' ' H ' ' A' ' 35' ' ' CYS . 69.3 t80 -15.55 140.16 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 117.21 2.3 . . . . 1.0 117.21 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.2 p -120.67 171.68 8.41 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.517 -1.219 . . . . 1.0 109.57 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.434 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -116.73 37.42 3.79 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 113.698 -1.592 . . . . 1.0 108.638 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -114.27 165.02 13.12 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 113.525 -1.67 . . . . 1.0 107.283 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.411 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 64.9 m -100.86 161.12 13.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -140.25 169.86 16.9 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 113.348 -1.751 . . . . 1.0 111.121 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -121.66 -45.22 2.3 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 103.091 -2.929 . . . . 1.0 103.091 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.48 170.32 16.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.389 -1.732 . . . . 1.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -72.71 -44.15 62.1 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 104.804 -2.295 . . . . 1.0 104.804 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.432 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.3 t-20 -52.23 -31.12 30.65 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.315 -2.22 . . . . 1.0 110.022 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -87.77 -36.18 17.45 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.184 -1.826 . . . . 1.0 108.519 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.68 -33.25 63.98 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 108.407 -0.96 . . . . 1.0 108.407 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 34.0 m0 -56.74 -45.11 82.16 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.285 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -56.44 -44.6 80.62 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 113.799 -1.546 . . . . 1.0 109.985 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.63 -48.61 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 124.695 1.247 . . . . 1.0 108.132 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.9 m -59.54 -32.74 70.6 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.228 -1.351 . . . . 1.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -79.54 -28.46 41.25 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.898 -1.501 . . . . 1.0 114.549 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -96.82 -1.42 46.18 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.121 0.486 . . . . 1.0 111.826 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.1 -69.63 0.85 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.213 -1.358 . . . . 1.0 107.881 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -124.87 56.52 1.31 Allowed 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 113.82 -1.536 . . . . 1.0 113.442 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 t30 17.96 46.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 117.863 2.542 . . . . 1.0 117.863 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -117.15 161.84 18.8 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 114.056 -1.429 . . . . 1.0 108.752 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -134.28 19.95 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.145 0.498 . . . . 1.0 110.242 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -116.87 70.39 0.77 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.691 1.367 . . . . 1.0 114.691 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.05 167.74 21.02 Favored Glycine 0 N--CA 1.484 1.843 0 CA-C-N 114.274 -1.33 . . . . 1.0 111.793 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -133.54 152.82 51.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 113.949 -1.125 . . . . 1.0 108.681 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.43 130.14 50.7 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.603 0.964 . . . . 1.0 113.603 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ptp -143.14 136.87 28.64 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.492 -1.67 . . . . 1.0 106.492 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.3 64.5 0.37 Allowed 'General case' 0 N--CA 1.508 2.442 0 O-C-N 124.513 1.133 . . . . 1.0 109.248 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.91 45.74 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 112.204 -2.271 . . . . 1.0 113.917 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -138.46 146.75 42.47 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 111.695 -2.502 . . . . 1.0 105.349 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -106.25 136.75 45.42 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.759 -0.776 . . . . 1.0 112.474 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 115.65 23.69 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 104.219 -2.511 . . . . 1.0 104.219 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.47 ' H ' ' HA ' ' A' ' 2' ' ' PHE . 35.0 m -107.34 163.04 13.37 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.758 0.661 . . . . 1.0 111.942 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -119.69 170.16 9.45 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.004 -1.453 . . . . 1.0 108.41 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 116.155 -1.879 . . . . 1.0 110.266 -179.979 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.576 -0.527 . . . . 1.0 109.576 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -22.65 139.87 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 125.533 1.77 . . . . 1.0 114.138 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.5 p -112.77 177.27 4.69 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 122.597 1.189 . . . . 1.0 109.452 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.1 29.81 7.48 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 111.461 -2.609 . . . . 1.0 111.349 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.45 147.15 37.11 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 104.959 -2.237 . . . . 1.0 104.959 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -77.42 156.08 31.38 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 117.211 2.301 . . . . 1.0 117.211 -179.644 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.6 155.48 38.51 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 111.798 -2.455 . . . . 1.0 108.448 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -102.61 -33.16 9.56 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 104.353 -2.462 . . . . 1.0 104.353 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.29 166.0 33.16 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 113.623 -1.626 . . . . 1.0 109.979 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.6 t -52.74 -44.15 66.23 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 123.496 1.617 . . . . 1.0 108.307 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 20.2 t-20 -47.61 -39.57 17.25 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 110.949 -2.841 . . . . 1.0 112.059 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -28.71 21.75 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 112.729 -2.032 . . . . 1.0 109.83 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -65.55 -27.72 68.65 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.495 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 36.4 m0 -60.41 -46.88 88.42 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.783 -1.098 . . . . 1.0 108.33 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -54.88 -42.14 71.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.224 -1.807 . . . . 1.0 110.677 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -66.46 -47.49 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 CA-C-N 113.266 -1.788 . . . . 1.0 108.335 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 84.0 m -66.18 -21.86 66.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 124.053 0.846 . . . . 1.0 111.502 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -75.79 -36.58 59.73 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 124.191 0.932 . . . . 1.0 109.708 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 16' ' ' ILE . 12.4 ptp180 -91.81 -9.66 42.68 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 124.031 0.832 . . . . 1.0 111.537 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -105.87 -73.58 0.68 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 114.26 -1.336 . . . . 1.0 110.784 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 23' ' ' THR . 11.9 m-70 -112.11 43.89 1.51 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.93 -1.487 . . . . 1.0 114.545 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 21.25 55.9 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 127.584 2.354 . . . . 1.0 116.898 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 21' ' ' HIS . 2.2 p -134.74 164.62 27.14 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 110.921 -2.854 . . . . 1.0 113.497 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.531 ' H ' HH11 ' A' ' 25' ' ' ARG . 23.4 t30 -125.98 3.35 7.28 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.741 -1.572 . . . . 1.0 110.773 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.531 HH11 ' H ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -114.0 83.31 1.85 Allowed 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 113.595 -1.639 . . . . 1.0 110.718 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.53 171.1 20.82 Favored Glycine 0 C--O 1.215 -1.033 0 CA-C-N 112.585 -2.098 . . . . 1.0 112.482 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.2 130.93 48.76 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 113.236 -1.482 . . . . 1.0 111.436 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -99.82 151.21 21.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.433 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 14.3 ptm 176.46 152.72 0.18 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 124.415 1.072 . . . . 1.0 108.688 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 36.36 55.82 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 CA-C-O 122.936 1.35 . . . . 1.0 110.155 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 36.83 44.74 0.37 Allowed 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 111.646 -2.525 . . . . 1.0 114.605 -179.663 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 29' ' ' MET . 22.1 ptmt -149.74 153.26 36.61 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 111.323 -2.671 . . . . 1.0 106.057 179.455 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 31.3 t -106.7 157.79 17.45 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 116.058 1.873 . . . . 1.0 116.058 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.87 144.34 50.71 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 113.313 -1.767 . . . . 1.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.7 m -126.56 156.09 41.38 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 179.59 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -100.46 -45.45 5.55 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 112.386 0.513 . . . . 1.0 112.386 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.498 1.956 0 N-CA-C 108.844 -0.799 . . . . 1.0 108.844 179.792 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 105.926 -1.879 . . . . 1.0 105.926 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 54.1 p -103.98 149.9 24.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 119.507 3.151 . . . . 1.0 119.507 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 p -131.43 170.27 14.9 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 112.532 -2.122 . . . . 1.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.3 m -118.92 -43.97 2.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 110.84 -2.891 . . . . 1.0 103.227 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.46 169.25 18.12 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.656 -1.611 . . . . 1.0 111.432 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -72.71 -46.41 53.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 104.483 -2.414 . . . . 1.0 104.483 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.475 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -50.61 -32.78 19.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 111.786 -2.461 . . . . 1.0 110.127 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -85.12 -38.91 18.51 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.157 -1.838 . . . . 1.0 108.2 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -55.64 -27.14 48.15 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 124.369 1.043 . . . . 1.0 109.219 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.475 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.9 m0 -60.48 -48.73 80.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.238 0.961 . . . . 1.0 109.304 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -54.44 -44.47 72.52 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.226 -1.352 . . . . 1.0 108.954 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -63.96 -39.67 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 113.39 -1.732 . . . . 1.0 108.559 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.527 ' SG ' ' HA3' ' A' ' 26' ' ' GLY . 71.7 m -68.31 -27.77 66.58 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.236 0.96 . . . . 1.0 111.801 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -69.91 -35.59 74.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.808 -1.182 . . . . 1.0 107.808 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -98.6 14.31 28.9 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.845 0.831 . . . . 1.0 111.695 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -113.97 -71.84 0.73 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.034 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -131.68 50.47 2.23 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 112.966 -1.925 . . . . 1.0 109.507 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 24.78 52.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 115.654 1.724 . . . . 1.0 115.654 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -129.92 165.0 22.98 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 113.473 -1.694 . . . . 1.0 112.117 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.464 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 15.0 t30 -125.71 14.07 8.06 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.09 -1.868 . . . . 1.0 107.544 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.3 mpt_? -111.13 70.23 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.902 -1.499 . . . . 1.0 110.467 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.527 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -122.66 157.43 17.26 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 112.628 -2.078 . . . . 1.0 110.469 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HD3' ' C ' ' A' ' 26' ' ' GLY . 1.3 mppt? -128.36 145.57 51.03 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 112.992 -1.604 . . . . 1.0 108.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -103.97 121.75 43.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 124.267 0.98 . . . . 1.0 109.122 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 ptm -133.35 133.17 42.15 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 106.948 -1.501 . . . . 1.0 106.948 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 34.63 64.88 0.38 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 124.853 1.345 . . . . 1.0 108.255 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.55 46.3 0.12 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.072 -2.331 . . . . 1.0 113.853 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 52.5 mtpt -138.41 150.11 46.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 112.205 -2.27 . . . . 1.0 106.228 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.6 138.11 45.45 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.449 1.277 . . . . 1.0 114.449 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -120.53 133.84 55.35 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.297 -2.112 . . . . 1.0 105.297 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 55.6 m . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 113.233 0.827 . . . . 1.0 113.233 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 107.903 -1.147 . . . . 1.0 107.903 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -102.91 162.24 13.09 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.967 -1.015 . . . . 1.0 113.022 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -140.35 169.36 17.82 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 112.904 -1.953 . . . . 1.0 110.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -120.47 -44.91 2.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 103.045 -2.946 . . . . 1.0 103.045 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.54 169.44 17.69 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 113.312 -1.767 . . . . 1.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -71.17 -44.21 65.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 104.702 -2.333 . . . . 1.0 104.702 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.6 t-20 -51.79 -32.49 31.46 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 112.161 -2.291 . . . . 1.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -86.42 -36.33 19.19 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.331 -1.759 . . . . 1.0 108.659 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.23 -31.41 65.49 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 124.217 0.948 . . . . 1.0 109.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.466 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 46.3 m0 -54.64 -44.2 72.99 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.765 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.86 -45.75 89.39 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 113.632 -1.622 . . . . 1.0 110.356 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.53 -47.36 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 107.737 -1.209 . . . . 1.0 107.737 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.38 -27.91 68.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 114.9 -1.046 . . . . 1.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -74.05 -29.5 61.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.733 0.645 . . . . 1.0 111.1 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -99.65 -8.89 23.8 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 123.605 0.566 . . . . 1.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 8.5 mp -111.76 -67.53 0.99 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 124.092 0.87 . . . . 1.0 110.106 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.427 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 17.6 m170 -103.96 35.06 2.78 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.078 -1.419 . . . . 1.0 112.265 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 25.85 43.33 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.664 2.098 . . . . 1.0 116.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.426 ' HB ' ' HE ' ' A' ' 25' ' ' ARG . 12.5 p -136.94 167.97 20.47 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 114.93 -1.032 . . . . 1.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.605 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 13.5 t-20 -122.53 21.79 10.09 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 114.033 -1.44 . . . . 1.0 108.203 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.605 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.39 72.96 0.81 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.063 -1.88 . . . . 1.0 108.304 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.96 165.25 16.89 Favored Glycine 0 N--CA 1.483 1.792 0 CA-C-N 113.635 -1.621 . . . . 1.0 112.96 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -138.05 138.89 39.25 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 112.911 -1.645 . . . . 1.0 108.72 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.3 t -103.15 121.5 42.77 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.5 mtp -132.42 133.74 44.27 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.147 -1.427 . . . . 1.0 107.147 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 33.65 66.12 0.25 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 124.993 1.433 . . . . 1.0 108.531 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 32.03 46.2 0.06 Allowed 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 111.795 -2.457 . . . . 1.0 113.976 -179.494 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -135.54 145.12 46.7 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 103.987 -2.597 . . . . 1.0 103.987 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.4 t -106.19 140.65 38.81 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 115.427 1.64 . . . . 1.0 115.427 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.1 tpt180 -121.06 149.05 43.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 112.274 -2.239 . . . . 1.0 108.623 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 18.8 m . . . . . 0 C--N 1.306 -1.293 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 105.211 -2.144 . . . . 1.0 105.211 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -105.01 157.66 17.08 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 p -143.29 171.52 14.0 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 111.986 -2.37 . . . . 1.0 110.552 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -117.2 -41.74 2.97 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.195 -2.73 . . . . 1.0 103.78 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.56 171.32 14.67 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.631 -1.622 . . . . 1.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -77.1 -46.85 22.15 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 104.155 -2.535 . . . . 1.0 104.155 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -50.35 -30.41 12.12 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 112.144 -2.298 . . . . 1.0 110.294 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -91.33 -37.8 13.02 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.854 -1.976 . . . . 1.0 108.336 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.53 -29.52 37.11 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 124.37 1.044 . . . . 1.0 109.247 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -58.52 -49.5 77.15 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.256 -1.338 . . . . 1.0 108.421 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.08 -45.85 83.0 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 113.86 -1.518 . . . . 1.0 109.482 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -60.77 -36.99 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.693 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.6 m -81.08 -18.2 47.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.115 -0.634 . . . . 1.0 109.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -81.27 -23.85 37.68 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.664 -0.865 . . . . 1.0 108.664 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -102.06 -7.19 22.52 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.841 0.713 . . . . 1.0 109.449 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.2 mp -110.51 -72.27 0.73 Allowed 'General case' 0 N--CA 1.503 2.198 0 CA-C-N 115.132 -0.94 . . . . 1.0 109.719 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -108.45 42.07 1.46 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.58 -1.191 . . . . 1.0 111.093 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 16.51 58.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.343 1.979 . . . . 1.0 116.343 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -140.44 161.85 36.72 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 112.288 -2.233 . . . . 1.0 108.559 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -120.35 18.72 12.18 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.923 0.868 . . . . 1.0 108.669 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.6 mpt_? -114.79 78.25 1.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.343 -1.753 . . . . 1.0 110.281 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.72 166.95 21.72 Favored Glycine 0 N--CA 1.483 1.83 0 CA-C-N 114.327 -1.306 . . . . 1.0 111.662 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -134.67 139.97 45.67 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 114.05 -1.075 . . . . 1.0 108.903 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.8 t -105.47 154.39 20.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 112.625 0.602 . . . . 1.0 112.625 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 ptm -177.03 143.83 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.75 1.282 . . . . 1.0 108.621 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 35.31 65.89 0.36 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 124.709 1.256 . . . . 1.0 109.355 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.85 44.11 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 112.739 -2.028 . . . . 1.0 113.315 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -140.0 145.51 37.89 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 111.537 -2.574 . . . . 1.0 106.042 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -112.87 151.68 30.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.835 0.826 . . . . 1.0 111.856 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -122.98 146.62 47.46 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.007 -1.906 . . . . 1.0 106.953 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 38.0 m . . . . . 0 C--N 1.307 -1.278 0 O-C-N 124.018 0.824 . . . . 1.0 109.426 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 107.289 -1.375 . . . . 1.0 107.289 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m -104.39 159.05 16.04 Favored 'General case' 0 C--N 1.309 -1.172 0 O-C-N 124.206 0.942 . . . . 1.0 112.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 27.8 p -142.58 170.21 16.13 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.393 -1.73 . . . . 1.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 m -119.69 -44.83 2.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 103.032 -2.951 . . . . 1.0 103.032 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.72 17.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.368 -1.742 . . . . 1.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.4 t -72.76 -44.72 61.26 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -52.21 -31.99 34.49 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 112.108 -2.315 . . . . 1.0 110.057 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -85.94 -37.95 18.5 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 113.255 -1.793 . . . . 1.0 108.381 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 t -56.0 -30.0 61.17 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 124.346 1.029 . . . . 1.0 108.953 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.452 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.0 m0 -58.37 -47.41 83.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 124.293 0.996 . . . . 1.0 109.106 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -57.7 -46.05 84.88 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 113.953 -1.476 . . . . 1.0 109.606 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -59.48 -42.17 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-N 114.408 -1.269 . . . . 1.0 108.68 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.422 ' HB3' HG23 ' A' ' 23' ' ' THR . 73.1 m -72.94 -24.38 60.79 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -74.56 -29.23 61.27 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 123.886 0.741 . . . . 1.0 109.144 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -99.62 -6.1 27.88 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.623 0.577 . . . . 1.0 110.675 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.7 mp -110.91 -71.3 0.77 Allowed 'General case' 0 N--CA 1.504 2.269 0 O-C-N 124.232 0.957 . . . . 1.0 109.327 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -107.3 38.28 2.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.596 1.185 . . . . 1.0 113.254 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.451 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 0.2 OUTLIER 25.95 45.42 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 125.913 1.685 . . . . 1.0 114.86 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.422 HG23 ' HB3' ' A' ' 17' ' ' CYS . 5.3 t -134.98 163.4 29.95 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.586 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.439 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 12.0 t-20 -121.83 20.64 10.86 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 114.573 -1.194 . . . . 1.0 108.621 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -113.15 72.67 0.78 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 113.372 -1.74 . . . . 1.0 109.44 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.58 163.95 23.13 Favored Glycine 0 N--CA 1.481 1.68 0 CA-C-N 113.991 -1.458 . . . . 1.0 112.538 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -131.39 146.68 52.38 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 113.81 -1.195 . . . . 1.0 111.276 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.82 126.5 51.96 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.909 0.756 . . . . 1.0 111.316 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.9 ptm -141.23 136.36 31.61 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.883 -1.525 . . . . 1.0 106.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.26 63.3 0.43 Allowed 'General case' 0 N--CA 1.507 2.423 0 O-C-N 124.576 1.173 . . . . 1.0 109.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.08 46.45 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 112.102 -2.317 . . . . 1.0 113.563 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 94.5 mttt -136.9 148.78 47.24 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 111.807 -2.451 . . . . 1.0 105.293 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.74 151.06 24.92 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 122.274 1.035 . . . . 1.0 113.075 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -123.22 140.45 53.01 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 104.488 -2.412 . . . . 1.0 104.488 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 58.5 m . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 108.691 -0.855 . . . . 1.0 108.691 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 104.582 -2.377 . . . . 1.0 104.582 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 t -101.83 158.82 15.85 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 122.619 1.199 . . . . 1.0 112.499 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.9 p -137.0 168.81 18.88 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 111.655 -2.521 . . . . 1.0 109.927 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -115.42 -45.09 2.94 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 102.492 -3.151 . . . . 1.0 102.492 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.76 168.98 19.44 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.217 -1.811 . . . . 1.0 109.598 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -57.81 -44.67 86.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.473 -1.677 . . . . 1.0 106.473 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -46.05 -34.91 4.43 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 111.579 -2.555 . . . . 1.0 112.607 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -92.06 -32.87 15.01 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 113.732 -1.577 . . . . 1.0 109.803 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 27.1 t -58.6 -32.39 68.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 124.103 0.877 . . . . 1.0 109.525 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.08 -46.12 71.95 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 114.196 -1.366 . . . . 1.0 109.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.0 -42.76 80.89 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 113.341 -1.754 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -63.74 -50.92 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.5 m -61.77 -25.26 67.36 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 123.836 0.71 . . . . 1.0 111.242 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -76.0 -32.46 59.43 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 124.099 0.874 . . . . 1.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -98.16 -1.3 42.51 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 120.425 -0.51 . . . . 1.0 111.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 5.5 mp -111.93 -68.65 0.92 Allowed 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.767 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -117.72 46.7 1.69 Allowed 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 114.285 -1.325 . . . . 1.0 112.114 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.5 t30 19.49 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 p -132.79 161.56 33.77 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.59 -1.641 . . . . 1.0 110.299 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -122.77 1.59 9.39 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 114.512 -1.222 . . . . 1.0 109.981 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -105.04 74.72 1.13 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 122.292 1.044 . . . . 1.0 111.606 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.96 172.3 19.08 Favored Glycine 0 N--CA 1.481 1.696 0 CA-C-N 113.157 -1.838 . . . . 1.0 109.076 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -134.79 157.39 46.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 124.156 0.562 . . . . 1.0 110.728 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.08 145.57 29.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 124.004 0.815 . . . . 1.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ptm -157.2 135.02 10.84 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 114.509 -1.223 . . . . 1.0 108.592 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 25.15 70.53 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 CA-C-O 124.031 1.872 . . . . 1.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.11 47.23 0.18 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.131 -3.668 . . . . 1.0 114.593 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -144.51 148.47 34.53 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 111.508 -2.587 . . . . 1.0 106.364 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.5 t -106.08 149.16 26.99 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.388 0.884 . . . . 1.0 113.388 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.76 151.6 50.17 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.603 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 107.929 -1.138 . . . . 1.0 107.929 179.627 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 104.764 -2.31 . . . . 1.0 104.764 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -106.86 162.6 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 114.534 1.309 . . . . 1.0 114.534 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 p -138.96 175.01 9.91 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 112.149 -2.296 . . . . 1.0 110.618 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.7 m -123.46 -46.98 2.0 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 101.418 -3.549 . . . . 1.0 101.418 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.01 170.6 15.75 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 112.946 -1.934 . . . . 1.0 109.603 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -75.64 -46.19 32.97 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 104.838 -2.282 . . . . 1.0 104.838 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 23.1 t-20 -52.68 -33.26 46.58 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 111.925 -2.398 . . . . 1.0 109.273 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -83.38 -39.06 21.15 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.178 -1.828 . . . . 1.0 107.947 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.7 t -54.5 -29.7 51.06 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 124.295 0.997 . . . . 1.0 109.418 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 42.0 m0 -57.45 -49.82 75.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 124.408 1.067 . . . . 1.0 108.772 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -58.01 -46.31 85.47 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.291 -1.777 . . . . 1.0 109.791 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.59 -40.32 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-N 114.515 -1.221 . . . . 1.0 108.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.15 -26.09 61.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 124.011 0.819 . . . . 1.0 110.77 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -75.51 -30.52 59.85 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.078 -0.965 . . . . 1.0 110.128 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -100.88 13.04 36.37 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.101 0.953 . . . . 1.0 110.557 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 mp -113.76 -71.99 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 112.863 -1.971 . . . . 1.0 108.815 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -130.49 51.61 2.1 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.954 -1.93 . . . . 1.0 110.268 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 26.44 52.28 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 115.45 1.648 . . . . 1.0 115.45 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -126.58 158.62 35.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.954 -1.475 . . . . 1.0 111.481 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.83 10.54 4.68 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.125 -0.943 . . . . 1.0 112.03 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.552 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 1.1 mpt_? -110.94 67.16 0.64 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.87 0.843 . . . . 1.0 111.86 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.51 167.06 17.98 Favored Glycine 0 N--CA 1.483 1.817 0 CA-C-N 113.6 -1.636 . . . . 1.0 111.869 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -136.82 164.08 29.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.029 -1.1 . . . . 1.0 108.029 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -100.69 126.7 47.24 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 47.5 mtp -124.15 107.67 11.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.549 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 42.41 57.45 3.39 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 122.899 1.333 . . . . 1.0 110.355 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.25 31.54 20.24 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.965 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.91 110.74 11.0 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 106.631 -1.618 . . . . 1.0 106.631 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.43 134.26 52.14 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 119.534 -0.867 . . . . 1.0 108.928 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -120.87 132.09 54.78 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 105.141 -2.17 . . . . 1.0 105.141 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 33.6 m . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 105.357 -2.09 . . . . 1.0 105.357 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 108.426 -0.953 . . . . 1.0 108.426 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -105.24 158.37 16.65 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 124.223 0.952 . . . . 1.0 113.495 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 170.37 15.83 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 113.121 -1.854 . . . . 1.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.0 m -119.83 -45.0 2.5 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 102.954 -2.98 . . . . 1.0 102.954 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.09 169.37 17.92 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 113.332 -1.758 . . . . 1.0 110.599 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -45.45 65.4 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 104.033 -2.58 . . . . 1.0 104.033 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -48.37 -31.97 6.89 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 111.92 -2.4 . . . . 1.0 111.131 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.69 -37.15 14.79 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 112.869 -1.969 . . . . 1.0 108.882 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -55.34 -29.8 59.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 124.308 1.005 . . . . 1.0 109.052 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -59.58 -48.64 80.88 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 114.29 -1.323 . . . . 1.0 108.706 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -54.6 -43.83 72.51 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.057 -1.429 . . . . 1.0 109.473 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -61.36 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-N 114.239 -1.346 . . . . 1.0 108.325 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.93 -20.44 63.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 124.09 0.869 . . . . 1.0 111.528 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.49 -29.38 37.37 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 124.143 0.902 . . . . 1.0 109.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -99.91 2.63 43.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 123.746 0.654 . . . . 1.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 2.8 mp -111.59 -69.85 0.84 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 113.98 -1.464 . . . . 1.0 108.65 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -126.87 55.47 1.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 113.472 -1.695 . . . . 1.0 112.042 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 17.72 50.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 118.422 2.749 . . . . 1.0 118.422 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -129.56 159.61 35.81 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 113.68 -1.6 . . . . 1.0 111.435 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 14.5 t30 -123.19 16.5 9.89 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 113.715 -1.584 . . . . 1.0 108.343 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.5 mpt_? -112.98 74.01 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.771 -1.559 . . . . 1.0 110.468 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.33 168.04 20.34 Favored Glycine 0 N--CA 1.482 1.71 0 CA-C-N 113.634 -1.621 . . . . 1.0 111.613 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -133.71 144.84 49.38 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 114.201 -1.0 . . . . 1.0 111.081 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -104.16 122.0 44.43 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 123.955 0.785 . . . . 1.0 110.995 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.7 mtm -133.48 130.43 38.57 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 106.388 -1.708 . . . . 1.0 106.388 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.7 t30 34.1 66.25 0.27 Allowed 'General case' 0 N--CA 1.505 2.285 0 O-C-N 124.829 1.331 . . . . 1.0 109.392 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 35.69 43.49 0.17 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 111.505 -2.589 . . . . 1.0 114.595 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 9.3 mtmp? -134.63 147.61 50.21 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 104.552 -2.388 . . . . 1.0 104.552 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.19 152.95 22.81 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.026 1.121 . . . . 1.0 114.026 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.8 OUTLIER -128.2 147.41 50.57 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 113.143 -1.844 . . . . 1.0 107.406 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 51.1 m . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 108.564 -0.902 . . . . 1.0 108.564 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -101.44 163.64 12.17 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.797 -1.092 . . . . 1.0 112.681 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.1 p -137.83 168.27 20.03 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.33 -1.759 . . . . 1.0 110.799 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -121.04 -48.03 2.25 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 102.302 -3.221 . . . . 1.0 102.302 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.46 166.06 26.75 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.03 -1.896 . . . . 1.0 108.54 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.6 t -58.38 -44.46 88.9 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 106.384 -1.71 . . . . 1.0 106.384 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.467 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.2 t-20 -49.07 -38.76 25.27 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 111.643 -2.526 . . . . 1.0 111.491 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.35 -32.57 26.17 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.189 -1.369 . . . . 1.0 109.907 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.12 -34.48 72.09 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.409 -0.96 . . . . 1.0 108.409 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.467 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 30.2 m0 -55.63 -41.43 73.53 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.743 -1.117 . . . . 1.0 109.946 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -57.63 -43.13 84.6 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.203 -1.362 . . . . 1.0 110.107 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -63.64 -53.47 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 106.225 -1.769 . . . . 1.0 106.225 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.1 m -50.66 -33.97 24.64 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.866 -1.061 . . . . 1.0 111.265 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmpt? -74.68 -35.68 62.78 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.619 -1.628 . . . . 1.0 111.825 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -97.29 3.77 51.12 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.127 0.489 . . . . 1.0 111.807 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -111.25 -65.06 1.21 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 114.377 -1.283 . . . . 1.0 108.326 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -131.91 52.91 2.03 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.992 -1.458 . . . . 1.0 111.869 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 18.87 55.15 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.411 2.004 . . . . 1.0 116.411 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -129.03 163.19 25.93 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.201 -1.818 . . . . 1.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.538 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 16.1 t30 -129.94 13.02 5.76 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.534 -1.212 . . . . 1.0 110.181 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.538 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.19 72.79 0.95 Allowed 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.177 -1.374 . . . . 1.0 111.083 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.79 166.52 22.53 Favored Glycine 0 N--CA 1.484 1.85 0 CA-C-N 115.121 -0.945 . . . . 1.0 112.886 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -133.37 155.22 49.86 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 114.112 -1.044 . . . . 1.0 110.575 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -106.83 116.82 32.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 124.696 1.248 . . . . 1.0 111.158 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.7 mtm -132.21 126.4 33.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 124.148 0.905 . . . . 1.0 108.572 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 39.91 59.27 1.96 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 122.577 1.18 . . . . 1.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt 46.0 37.75 4.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 112.232 -2.258 . . . . 1.0 114.053 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.77 153.94 50.74 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.764 -1.939 . . . . 1.0 105.764 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.0 t -110.73 145.27 38.36 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.786 -0.766 . . . . 1.0 112.684 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -125.47 131.88 52.78 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.857 -2.275 . . . . 1.0 104.857 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 64.1 m . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.182 0.515 . . . . 1.0 111.349 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.457 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 67.2 m -98.41 163.22 12.78 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 112.069 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.0 p -139.19 168.89 18.82 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.766 -1.561 . . . . 1.0 111.225 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -119.48 -47.81 2.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.318 -3.215 . . . . 1.0 102.318 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.54 168.92 20.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.002 -1.908 . . . . 1.0 109.327 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -57.91 -43.19 86.05 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 106.922 -1.51 . . . . 1.0 106.922 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.459 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 24.1 t-20 -49.23 -39.23 29.25 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 111.928 -2.396 . . . . 1.0 111.403 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -33.97 27.16 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.247 -1.342 . . . . 1.0 109.371 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 42.9 t -58.61 -33.6 70.19 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 123.918 0.761 . . . . 1.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.459 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 29.2 m0 -55.63 -43.5 76.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 124.066 0.854 . . . . 1.0 109.219 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 t -58.98 -44.2 91.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 113.806 -1.543 . . . . 1.0 109.746 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.75 -47.6 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' HA3' ' A' ' 26' ' ' GLY . 22.6 m -58.03 -37.79 75.02 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 114.393 -1.276 . . . . 1.0 110.792 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.679 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -72.48 -35.79 68.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 113.389 -1.732 . . . . 1.0 114.371 -179.728 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HB3' ' HZ3' ' A' ' 18' ' ' LYS . 12.4 ptp180 -91.42 -0.85 57.69 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.974 0.731 . . . . 1.0 112.974 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.99 -69.41 0.87 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.541 -1.281 . . . . 1.0 107.541 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -125.5 54.68 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.894 -1.503 . . . . 1.0 113.206 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.2 t30 18.71 48.02 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 116.972 2.212 . . . . 1.0 116.972 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -118.23 162.75 17.74 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 113.678 -1.601 . . . . 1.0 109.596 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 10.1 t30 -133.42 24.52 4.11 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 24' ' ' ASN . 1.2 mpt_? -112.32 67.59 0.66 Allowed 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 114.006 -1.452 . . . . 1.0 111.6 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.405 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -127.97 164.06 21.42 Favored Glycine 0 N--CA 1.484 1.883 0 CA-C-N 115.274 -0.876 . . . . 1.0 114.289 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 13.9 ptmm? -137.26 158.38 44.55 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.22 -1.49 . . . . 1.0 109.292 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -107.52 132.16 53.54 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.619 0.97 . . . . 1.0 113.619 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptp -145.42 133.17 21.08 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.896 -1.52 . . . . 1.0 106.896 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.52 64.34 0.4 Allowed 'General case' 0 N--CA 1.508 2.436 0 O-C-N 124.293 0.996 . . . . 1.0 109.484 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.85 44.81 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 112.129 -2.305 . . . . 1.0 113.978 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -137.3 147.99 46.04 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 111.582 -2.554 . . . . 1.0 105.147 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.7 t -105.64 143.26 34.05 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.885 -0.726 . . . . 1.0 112.882 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -125.48 115.42 20.21 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.006 -2.22 . . . . 1.0 105.006 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.488 1.426 0 O-C-N 123.992 0.808 . . . . 1.0 112.368 -179.776 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 105.745 -1.946 . . . . 1.0 105.745 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.426 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 66.4 m -100.28 161.49 13.57 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.644 0.735 . . . . 1.0 111.938 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 30.5 p -138.16 170.79 15.41 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 113.401 -1.727 . . . . 1.0 110.571 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.5 m -122.1 -45.86 2.22 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 102.322 -3.214 . . . . 1.0 102.322 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.62 167.2 22.15 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.285 -1.78 . . . . 1.0 110.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 t -67.67 -45.08 76.26 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 104.795 -2.298 . . . . 1.0 104.795 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.474 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -50.81 -32.87 21.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 111.66 -2.518 . . . . 1.0 110.37 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -85.45 -36.46 20.59 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.441 -1.709 . . . . 1.0 108.736 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 t -56.62 -31.38 64.26 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.474 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.8 m0 -56.37 -44.71 80.42 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.42 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.9 t -58.63 -43.36 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 113.914 -1.494 . . . . 1.0 110.205 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.96 -51.24 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.774 -1.195 . . . . 1.0 107.774 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.33 -33.81 69.92 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.393 -1.276 . . . . 1.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HB3' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.97 -37.12 72.77 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 114.625 -1.17 . . . . 1.0 110.99 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.466 HH21 ' NZ ' ' A' ' 18' ' ' LYS . 12.5 ptp180 -92.49 -5.55 51.61 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 120.448 -0.501 . . . . 1.0 111.499 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -111.0 -71.89 0.74 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.212 0.945 . . . . 1.0 110.037 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -110.22 42.56 1.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.273 0.983 . . . . 1.0 111.785 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.5 t30 22.01 51.21 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 115.924 1.824 . . . . 1.0 115.924 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.437 ' HB ' ' HE ' ' A' ' 25' ' ' ARG . 1.6 p -133.12 163.13 29.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.469 -1.696 . . . . 1.0 110.865 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.63 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 13.2 t-20 -127.23 15.21 7.25 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.075 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.63 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.04 65.6 0.62 Allowed 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.62 -1.173 . . . . 1.0 111.542 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.429 ' C ' ' HD3' ' A' ' 27' ' ' LYS . . . -122.58 161.71 16.67 Favored Glycine 0 N--CA 1.483 1.775 0 CA-C-N 113.459 -1.7 . . . . 1.0 112.407 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -125.97 151.67 46.71 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.398 -1.401 . . . . 1.0 110.018 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.41 116.98 33.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.141 0.9 . . . . 1.0 109.52 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.2 mtp -133.08 128.76 36.9 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 123.902 0.751 . . . . 1.0 109.0 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 39.12 61.12 1.34 Allowed 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 123.026 1.393 . . . . 1.0 109.923 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 45.9 36.85 3.14 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 mtpm? -134.23 157.93 45.03 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.843 -1.54 . . . . 1.0 106.843 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.2 t -113.32 139.41 48.87 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.588 0.709 . . . . 1.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -121.91 134.66 54.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.543 -2.762 . . . . 1.0 103.543 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.481 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 55.8 m . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 107.836 -1.172 . . . . 1.0 107.836 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -106.49 160.16 15.62 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 124.348 1.03 . . . . 1.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -141.79 169.75 17.01 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.433 -1.712 . . . . 1.0 111.302 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -119.28 -44.78 2.57 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 102.91 -2.996 . . . . 1.0 102.91 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.49 169.23 18.15 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 113.531 -1.668 . . . . 1.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -73.1 -44.62 60.1 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 104.726 -2.324 . . . . 1.0 104.726 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.443 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.4 t-20 -51.84 -32.2 30.83 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 112.083 -2.326 . . . . 1.0 110.167 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.04 -38.03 18.28 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.031 -1.895 . . . . 1.0 108.458 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 t -55.88 -30.96 62.36 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.277 0.986 . . . . 1.0 109.208 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.443 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 33.0 m0 -58.99 -46.66 87.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.78 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.3 t -58.32 -44.37 88.61 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 113.836 -1.529 . . . . 1.0 109.886 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -58.73 -46.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 124.653 1.221 . . . . 1.0 108.16 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.8 m -63.09 -33.77 76.17 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.052 -0.976 . . . . 1.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 18' ' ' LYS . 6.7 ttpm? -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -96.0 -5.48 41.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 123.611 0.569 . . . . 1.0 112.065 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -111.16 -71.5 0.76 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 124.227 0.954 . . . . 1.0 109.164 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -110.2 42.68 1.5 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 124.539 1.149 . . . . 1.0 112.289 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 23.02 46.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 117.095 2.257 . . . . 1.0 117.095 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -131.64 166.46 21.4 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.469 -1.241 . . . . 1.0 111.025 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.545 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 14.5 t30 -126.13 13.29 7.78 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.992 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.545 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -105.92 68.54 0.78 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 114.085 -1.416 . . . . 1.0 109.544 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.07 163.98 15.31 Favored Glycine 0 N--CA 1.483 1.822 0 CA-C-N 114.599 -1.182 . . . . 1.0 114.085 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -135.27 145.88 48.0 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 113.331 -1.434 . . . . 1.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -104.14 127.05 51.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.488 0.493 . . . . 1.0 111.266 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptm -142.62 136.19 28.89 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.05 63.41 0.41 Allowed 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.661 1.226 . . . . 1.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.31 46.79 0.07 Allowed 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.743 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.89 149.0 47.38 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 111.496 -2.593 . . . . 1.0 105.139 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -110.2 144.33 39.02 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.373 1.249 . . . . 1.0 114.373 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -115.1 144.81 43.08 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 111.721 -2.491 . . . . 1.0 107.168 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 C--N 1.307 -1.253 0 O-C-N 124.228 0.955 . . . . 1.0 108.601 179.667 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.925 0 N-CA-C 104.112 -2.551 . . . . 1.0 104.112 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 47.2 t -93.11 159.34 15.33 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.677 0.751 . . . . 1.0 111.956 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.6 p -137.47 165.57 25.95 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 113.141 -1.845 . . . . 1.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -119.42 -47.35 2.45 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.584 -3.117 . . . . 1.0 102.584 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.72 168.95 19.48 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.078 -1.874 . . . . 1.0 109.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 t -62.11 -43.25 99.25 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.101 -1.814 . . . . 1.0 106.101 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.413 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 45.2 t30 -48.35 -33.31 8.78 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 111.988 -2.369 . . . . 1.0 111.985 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -91.47 -34.17 14.92 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.209 -1.36 . . . . 1.0 109.024 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.71 -32.66 65.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 1.0 109.115 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 40.1 m0 -57.19 -46.1 83.13 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.37 -1.286 . . . . 1.0 109.484 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -56.36 -44.61 80.27 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 125.136 1.523 . . . . 1.0 110.678 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.31 -52.0 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 124.66 1.225 . . . . 1.0 107.889 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 63.4 m -64.36 -21.9 66.78 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.581 -1.19 . . . . 1.0 111.685 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -78.96 -32.2 45.3 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 124.055 0.847 . . . . 1.0 110.093 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -98.34 -1.15 42.37 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 123.618 0.574 . . . . 1.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -111.45 -70.29 0.82 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 114.525 -1.216 . . . . 1.0 108.937 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -119.34 48.12 1.56 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.362 1.038 . . . . 1.0 111.913 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 13.87 59.02 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 7.8 t -137.41 160.73 38.26 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 112.436 -2.165 . . . . 1.0 108.266 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.44 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 12.2 t-20 -124.22 20.73 8.92 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 114.854 -1.066 . . . . 1.0 108.625 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.488 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -114.05 67.82 0.68 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 113.484 -1.689 . . . . 1.0 110.673 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.69 166.84 22.9 Favored Glycine 0 N--CA 1.482 1.728 0 CA-C-N 114.108 -1.406 . . . . 1.0 110.594 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -136.42 157.94 45.6 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 114.57 -0.815 . . . . 1.0 112.402 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.1 t -103.01 125.16 49.65 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 114.53 -1.214 . . . . 1.0 112.617 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.6 mtm -141.6 139.02 33.01 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 106.272 -1.751 . . . . 1.0 106.272 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.4 t30 33.97 60.26 0.54 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 123.473 1.606 . . . . 1.0 112.227 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 tptm 43.13 36.37 0.96 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 111.491 -2.595 . . . . 1.0 114.808 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 22.2 pttm -139.57 156.33 46.95 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.4 -1.704 . . . . 1.0 106.4 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 1.1 tmt_? -123.11 145.11 48.85 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.297 -2.229 . . . . 1.0 106.617 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 38.3 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.372 -0.973 . . . . 1.0 108.372 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 108.646 -0.872 . . . . 1.0 108.646 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -106.3 160.52 15.3 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.443 1.089 . . . . 1.0 111.771 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.37 167.33 21.81 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 112.725 -2.034 . . . . 1.0 110.656 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.8 m -117.75 -47.14 2.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 102.206 -3.257 . . . . 1.0 102.206 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.31 167.5 22.29 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.085 -1.871 . . . . 1.0 108.919 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -63.07 -44.23 96.36 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.459 -1.682 . . . . 1.0 106.459 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.9 t-20 -48.12 -38.26 17.34 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 112.03 -2.35 . . . . 1.0 111.676 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.55 -35.33 22.91 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.112 -1.403 . . . . 1.0 108.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.41 -29.8 64.41 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 124.052 0.845 . . . . 1.0 109.312 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 32.7 m0 -59.3 -48.48 81.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.239 0.962 . . . . 1.0 108.585 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -55.85 -45.25 78.51 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 113.97 -1.468 . . . . 1.0 109.754 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.61 -44.52 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-N 114.334 -1.303 . . . . 1.0 108.513 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.2 m -73.34 -18.43 61.19 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -81.31 -27.59 34.96 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.928 0.768 . . . . 1.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -100.18 -7.07 25.18 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.837 0.711 . . . . 1.0 109.904 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 7.0 mp -110.79 -71.53 0.76 Allowed 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.33 1.019 . . . . 1.0 109.903 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.443 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 16.6 m170 -107.57 40.36 1.72 Allowed 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.369 -1.287 . . . . 1.0 111.928 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 17.4 56.57 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 116.414 2.005 . . . . 1.0 116.414 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.2 t -139.26 166.43 24.55 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.832 -1.985 . . . . 1.0 108.989 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.509 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 21.2 t30 -120.57 8.21 10.67 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.16 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.509 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.24 80.17 1.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.452 -1.249 . . . . 1.0 109.6 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.53 165.09 20.76 Favored Glycine 0 N--CA 1.482 1.754 0 CA-C-N 114.654 -1.157 . . . . 1.0 111.834 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -132.96 143.38 49.42 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 114.172 -1.014 . . . . 1.0 111.297 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -101.57 122.47 43.9 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.503 0.502 . . . . 1.0 109.975 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -139.88 134.61 31.88 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.922 -1.14 . . . . 1.0 107.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 34.09 63.2 0.42 Allowed 'General case' 0 N--CA 1.507 2.405 0 O-C-N 124.683 1.239 . . . . 1.0 109.345 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.9 47.02 0.16 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 112.112 -2.313 . . . . 1.0 113.388 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -137.76 150.44 47.26 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-N 111.838 -2.437 . . . . 1.0 105.234 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.31 146.52 32.82 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.787 1.402 . . . . 1.0 114.787 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.3 tpt180 -118.11 147.79 42.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 112.587 -2.097 . . . . 1.0 108.087 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.414 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 39.7 m . . . . . 0 C--N 1.307 -1.247 0 N-CA-C 107.772 -1.195 . . . . 1.0 107.772 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 105.074 -2.195 . . . . 1.0 105.074 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -98.63 158.5 15.57 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 116.426 2.01 . . . . 1.0 116.426 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 23.0 p -137.84 167.36 21.89 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 112.883 -1.962 . . . . 1.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -118.28 -47.62 2.55 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 102.355 -3.202 . . . . 1.0 102.355 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.54 168.27 21.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 112.751 -2.022 . . . . 1.0 108.173 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -43.78 94.04 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 105.436 -2.061 . . . . 1.0 105.436 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -47.66 -34.15 7.7 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 111.657 -2.52 . . . . 1.0 111.671 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -34.66 14.67 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.221 -1.354 . . . . 1.0 108.528 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.9 t -56.94 -25.63 57.98 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.388 1.055 . . . . 1.0 109.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -65.64 -52.19 53.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.34 1.025 . . . . 1.0 108.571 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 t -54.34 -41.96 69.7 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 114.322 -1.308 . . . . 1.0 109.606 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -66.63 -46.68 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 113.861 -1.518 . . . . 1.0 107.613 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 69.2 m -65.39 -20.59 66.44 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 124.267 0.979 . . . . 1.0 112.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -72.06 -36.99 69.72 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 105.66 -1.978 . . . . 1.0 105.66 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -99.46 9.23 43.64 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.796 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -114.04 -69.38 0.86 Allowed 'General case' 0 N--CA 1.504 2.24 0 CA-C-N 114.246 -1.343 . . . . 1.0 108.927 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.74 45.35 2.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 18.97 59.48 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.985 1.846 . . . . 1.0 115.985 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.422 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 7.6 t -141.2 166.65 24.2 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 112.279 -2.237 . . . . 1.0 109.444 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.529 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 11.3 t-20 -125.15 4.6 7.87 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 114.845 -1.07 . . . . 1.0 109.859 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.529 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -109.93 72.84 0.81 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.462 1.125 . . . . 1.0 108.943 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.28 169.09 14.85 Favored Glycine 0 N--CA 1.482 1.741 0 CA-C-N 112.881 -1.963 . . . . 1.0 110.785 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.82 148.2 52.31 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.6 t -102.78 122.07 43.74 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.033 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -138.01 133.21 33.33 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.534 -1.284 . . . . 1.0 107.534 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 34.08 65.72 0.3 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 124.662 1.226 . . . . 1.0 109.077 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.33 45.72 0.09 Allowed 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.163 -2.29 . . . . 1.0 113.946 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 43.5 mmtm -136.95 152.39 50.12 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 111.971 -2.377 . . . . 1.0 105.563 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 42.2 t -110.86 144.36 40.01 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.292 1.59 . . . . 1.0 115.292 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -116.95 145.93 43.31 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 111.374 -2.648 . . . . 1.0 108.321 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.8 m . . . . . 0 C--N 1.305 -1.368 0 N-CA-C 105.668 -1.975 . . . . 1.0 105.668 179.633 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 106.744 -1.576 . . . . 1.0 106.744 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 50.1 m -94.78 161.17 14.28 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 123.784 0.677 . . . . 1.0 112.488 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 20.5 p -138.57 166.22 24.88 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.263 -1.335 . . . . 1.0 110.767 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.7 m -120.12 -48.26 2.34 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 102.54 -3.133 . . . . 1.0 102.54 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.69 167.48 23.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 112.983 -1.917 . . . . 1.0 108.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -62.23 -41.91 98.84 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 105.866 -1.901 . . . . 1.0 105.866 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -49.47 -33.97 15.7 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 111.697 -2.501 . . . . 1.0 111.543 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -90.55 -33.87 15.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.335 -1.302 . . . . 1.0 108.972 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t -57.16 -32.71 66.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 124.246 0.966 . . . . 1.0 109.376 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -54.91 -47.7 74.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 114.597 -1.183 . . . . 1.0 109.795 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -53.37 -42.84 67.29 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 125.415 1.697 . . . . 1.0 111.105 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -66.3 -50.86 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 114.368 -1.287 . . . . 1.0 107.733 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 78.2 m -66.25 -15.84 63.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 124.286 0.991 . . . . 1.0 111.958 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -81.41 -29.85 33.76 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 16' ' ' ILE . 12.9 ptp180 -102.81 5.18 38.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.826 0.704 . . . . 1.0 110.076 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -112.8 -66.24 1.1 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 114.14 -1.391 . . . . 1.0 109.007 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -127.2 48.09 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.488 -1.687 . . . . 1.0 111.538 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 16.84 57.64 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 113.399 -1.728 . . . . 1.0 115.449 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 10.1 t -137.25 163.7 30.3 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 112.691 -2.05 . . . . 1.0 111.013 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -126.9 20.26 7.04 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.681 -1.6 . . . . 1.0 107.361 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.62 66.28 0.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.201 -1.818 . . . . 1.0 109.017 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.63 165.68 20.61 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 113.485 -1.689 . . . . 1.0 111.491 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -135.07 155.36 50.86 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 114.095 -1.052 . . . . 1.0 112.159 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -103.46 129.18 50.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.6 ptm -143.83 137.69 28.15 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.871 -1.529 . . . . 1.0 106.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 27.75 68.53 0.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 123.777 1.751 . . . . 1.0 110.681 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.44 44.87 0.07 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.572 -3.467 . . . . 1.0 114.514 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 34.6 mtmm -143.49 155.48 44.36 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 112.188 -2.278 . . . . 1.0 107.608 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.3 t -103.67 152.99 21.15 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 117.019 2.229 . . . . 1.0 117.019 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -124.5 143.65 50.54 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 112.151 -2.295 . . . . 1.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 105.918 -1.882 . . . . 1.0 105.918 179.595 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 104.931 -2.248 . . . . 1.0 104.931 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 m -96.05 159.58 14.89 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 121.825 0.821 . . . . 1.0 112.284 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.0 p -140.29 168.14 20.51 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.005 -1.907 . . . . 1.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -120.13 -44.07 2.51 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 103.58 -2.748 . . . . 1.0 103.58 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.26 168.39 19.26 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.448 -1.705 . . . . 1.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 t -71.27 -44.35 65.43 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 105.092 -2.188 . . . . 1.0 105.092 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.444 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.1 t-20 -51.64 -30.86 23.17 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 112.379 -2.191 . . . . 1.0 110.385 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -88.3 -36.26 16.77 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.3 -1.773 . . . . 1.0 108.64 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -56.46 -32.54 65.06 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 124.064 0.852 . . . . 1.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.444 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.2 m0 -54.8 -46.29 74.48 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 114.59 -1.186 . . . . 1.0 109.276 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.6 t -55.75 -41.33 73.8 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.327 -1.761 . . . . 1.0 110.309 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.22 -49.3 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 124.473 1.108 . . . . 1.0 108.011 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.72 -24.62 67.76 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.71 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -43.72 24.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 124.14 0.9 . . . . 1.0 111.44 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HG3' ' CD1' ' A' ' 20' ' ' LEU . 11.7 ptp180 -82.95 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 120.127 -0.629 . . . . 1.0 112.476 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.62 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 10.4 mp -111.59 -64.94 1.22 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 124.113 0.883 . . . . 1.0 110.722 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.62 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 55.1 m-70 -109.85 37.51 2.64 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.573 -1.649 . . . . 1.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 23.5 49.58 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 116.106 1.891 . . . . 1.0 116.106 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 p -134.3 162.75 31.31 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 113.859 -1.518 . . . . 1.0 110.351 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.463 ' C ' ' HE ' ' A' ' 25' ' ' ARG . 20.6 t-20 -126.78 -0.58 6.69 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.406 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HE ' ' C ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -97.26 70.91 2.36 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.992 -179.743 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.83 168.92 15.12 Favored Glycine 0 N--CA 1.487 2.047 0 CA-C-N 114.496 -1.229 . . . . 1.0 112.563 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -131.36 147.08 52.53 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 114.079 -1.061 . . . . 1.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.16 135.9 44.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 123.967 0.792 . . . . 1.0 110.585 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.4 ptm -156.96 146.54 20.56 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.215 -1.402 . . . . 1.0 107.215 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.9 t30 32.88 58.52 0.44 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-O 123.365 1.555 . . . . 1.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 36.23 42.56 0.18 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.308 -2.678 . . . . 1.0 114.93 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -141.87 153.22 44.29 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.43 146.21 33.44 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 114.028 1.122 . . . . 1.0 114.028 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 1.1 tmt_? -126.94 154.43 44.52 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 112.894 -1.957 . . . . 1.0 107.049 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 23.4 m . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 107.775 -1.195 . . . . 1.0 107.775 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 106.567 -1.642 . . . . 1.0 106.567 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -102.51 158.02 16.51 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.064 0.853 . . . . 1.0 111.619 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.0 p -143.57 169.41 17.77 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.823 -1.535 . . . . 1.0 111.329 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -118.73 -43.79 2.66 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 110.974 -2.83 . . . . 1.0 103.583 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.87 169.12 18.09 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.553 -1.658 . . . . 1.0 111.054 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.4 m -75.99 -43.62 43.57 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -53.39 -31.21 43.8 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 112.278 -2.237 . . . . 1.0 109.355 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -86.8 -38.09 17.19 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 113.077 -1.874 . . . . 1.0 107.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 t -55.25 -29.44 58.07 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 124.349 1.031 . . . . 1.0 109.114 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.429 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 37.9 m0 -59.88 -47.14 86.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 124.276 0.985 . . . . 1.0 109.16 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -57.31 -44.16 83.91 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 114.048 -1.433 . . . . 1.0 109.72 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -59.82 -50.81 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 CA-C-N 114.491 -1.232 . . . . 1.0 107.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -56.61 -34.83 67.61 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.484 -1.235 . . . . 1.0 111.365 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -72.3 -34.94 68.52 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.148 -1.387 . . . . 1.0 112.028 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -95.14 0.0 53.77 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 3.3 mp -111.7 -69.06 0.89 Allowed 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 114.548 -1.206 . . . . 1.0 109.811 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -121.76 48.32 1.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.605 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.2 t30 18.66 54.62 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 116.607 2.077 . . . . 1.0 116.607 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -128.69 163.95 24.0 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 112.841 -1.981 . . . . 1.0 110.084 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.563 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 23.0 t30 -130.26 -2.48 4.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 113.343 0.868 . . . . 1.0 113.343 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.58 74.67 1.02 Allowed 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.938 0.875 . . . . 1.0 111.525 -179.677 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 168.19 15.85 Favored Glycine 0 N--CA 1.483 1.789 0 CA-C-N 113.649 -1.614 . . . . 1.0 111.368 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -131.65 149.84 52.35 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 114.229 -0.986 . . . . 1.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.56 144.96 30.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 123.741 0.651 . . . . 1.0 110.639 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 ptp -167.77 151.06 6.01 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.15 -1.426 . . . . 1.0 107.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 31.08 61.16 0.24 Allowed 'General case' 0 N--CA 1.509 2.488 0 O-C-N 124.579 1.175 . . . . 1.0 110.407 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.35 43.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 111.706 -2.497 . . . . 1.0 114.209 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 58.4 pttt -141.59 152.13 43.77 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 111.621 -2.536 . . . . 1.0 105.75 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.909 0.862 . . . . 1.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.06 138.28 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.244 -2.132 . . . . 1.0 105.244 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.307 -1.255 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.026 0 N-CA-C 105.585 -2.006 . . . . 1.0 105.585 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 t -102.61 157.02 17.23 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 122.735 1.255 . . . . 1.0 113.624 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 23.7 p -146.81 168.26 21.86 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 111.891 -2.413 . . . . 1.0 109.435 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -115.01 -39.79 3.6 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 104.054 -2.573 . . . . 1.0 104.054 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.24 167.75 20.97 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 114.005 -1.452 . . . . 1.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 t -69.45 -42.59 74.72 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 105.842 -1.91 . . . . 1.0 105.842 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.2 t-20 -48.76 -36.76 17.2 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 112.785 -2.007 . . . . 1.0 111.14 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.57 -35.55 19.41 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.076 -1.42 . . . . 1.0 108.57 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -55.9 -30.15 61.13 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 124.023 0.827 . . . . 1.0 109.45 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 29.5 m0 -61.01 -47.38 86.71 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 114.743 -1.117 . . . . 1.0 108.088 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -57.97 -43.55 86.57 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 114.248 -1.342 . . . . 1.0 109.533 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -59.24 -46.36 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 107.659 -1.237 . . . . 1.0 107.659 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.11 -23.85 64.05 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 115.175 -0.921 . . . . 1.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -76.76 -28.71 55.81 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.837 0.711 . . . . 1.0 109.887 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -100.33 -5.31 27.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.641 0.588 . . . . 1.0 110.376 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.9 mp -111.35 -71.97 0.74 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 124.412 1.07 . . . . 1.0 109.559 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 15.3 m170 -108.17 40.92 1.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.695 1.247 . . . . 1.0 111.663 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 18.17 58.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.49 2.033 . . . . 1.0 116.49 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 t -143.7 163.57 32.9 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 112.365 -2.198 . . . . 1.0 108.277 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.554 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 13.9 t30 -120.66 20.3 11.76 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.941 0.876 . . . . 1.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.554 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -111.83 83.98 1.88 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 113.29 -1.777 . . . . 1.0 109.306 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.76 165.31 23.89 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 114.343 -1.298 . . . . 1.0 112.312 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -133.74 132.86 41.07 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 113.749 -1.225 . . . . 1.0 108.611 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.28 151.76 23.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.216 0.821 . . . . 1.0 113.216 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptm -178.35 153.58 0.75 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 124.699 1.25 . . . . 1.0 108.029 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 33.35 56.74 0.51 Allowed 'General case' 0 N--CA 1.506 2.348 0 CA-C-O 122.655 1.217 . . . . 1.0 111.325 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 37.15 42.5 0.27 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.124 -2.307 . . . . 1.0 114.03 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 57.7 pttt -142.82 151.69 41.42 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 105.057 -2.201 . . . . 1.0 105.057 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.06 152.39 31.09 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.842 0.829 . . . . 1.0 113.042 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.0 149.88 42.85 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.644 -2.071 . . . . 1.0 107.24 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.483 1.222 0 O-C-N 123.69 0.619 . . . . 1.0 110.24 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 104.993 -2.225 . . . . 1.0 104.993 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 m -102.49 153.66 19.85 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.282 2.327 . . . . 1.0 117.282 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 p -140.55 169.73 17.1 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 111.546 -2.57 . . . . 1.0 109.879 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 m -117.88 -39.39 3.11 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 111.761 -2.472 . . . . 1.0 104.731 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.59 169.78 16.79 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 124.986 1.429 . . . . 1.0 111.843 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -78.24 -44.99 24.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.474 -2.417 . . . . 1.0 104.474 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.424 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.5 t-20 -52.52 -32.24 39.44 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 112.134 -2.303 . . . . 1.0 109.305 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -86.45 -38.56 17.2 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 112.935 -1.939 . . . . 1.0 107.576 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.9 t -55.62 -26.27 43.25 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.214 0.947 . . . . 1.0 109.241 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 34.6 m0 -64.53 -51.8 61.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 124.198 0.936 . . . . 1.0 108.66 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.7 t -53.87 -45.66 71.08 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.803 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.6 mp -60.43 -43.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 CA-C-N 112.982 -1.917 . . . . 1.0 108.471 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.1 m -67.1 -28.78 68.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.124 0.89 . . . . 1.0 111.747 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -72.2 -29.34 63.89 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.203 -0.908 . . . . 1.0 109.414 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -103.14 8.45 38.63 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 121.593 0.711 . . . . 1.0 111.03 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.6 mp -113.49 -71.51 0.75 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-N 113.743 -1.571 . . . . 1.0 108.978 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -126.35 49.07 2.04 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 113.072 -1.876 . . . . 1.0 110.281 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 t30 22.92 50.1 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.541 2.052 . . . . 1.0 116.541 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -131.6 167.08 20.04 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.915 -1.493 . . . . 1.0 111.563 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.515 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 9.6 t30 -126.89 16.47 7.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 113.665 -1.607 . . . . 1.0 108.547 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.558 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -111.5 64.61 0.62 Allowed 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 114.402 -1.272 . . . . 1.0 112.346 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.42 155.63 19.53 Favored Glycine 0 N--CA 1.481 1.677 0 CA-C-N 114.58 -1.191 . . . . 1.0 112.536 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.49 147.63 49.16 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 112.886 -1.657 . . . . 1.0 108.659 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -107.61 145.49 33.21 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.433 1.083 . . . . 1.0 112.285 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.415 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 22.0 ptm -166.16 151.21 8.29 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.2 -1.407 . . . . 1.0 107.2 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 30.85 59.36 0.24 Allowed 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 123.217 1.484 . . . . 1.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 36.76 43.97 0.31 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 111.684 -2.507 . . . . 1.0 114.481 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 29' ' ' MET . 61.2 pttt -144.81 149.06 34.79 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 112.837 -1.983 . . . . 1.0 106.404 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 t -112.97 145.49 40.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.745 0.653 . . . . 1.0 112.52 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -122.28 134.34 54.67 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 104.991 -2.226 . . . . 1.0 104.991 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 51.2 m . . . . . 0 N--CA 1.487 1.393 0 O-C-N 123.692 0.62 . . . . 1.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 107.349 -1.352 . . . . 1.0 107.349 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.428 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 45.2 t -101.46 160.5 14.38 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 122.336 1.065 . . . . 1.0 112.101 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.11 169.77 17.18 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.364 -2.198 . . . . 1.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -115.66 -45.93 2.87 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 102.434 -3.172 . . . . 1.0 102.434 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.08 169.27 19.02 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 112.99 -1.914 . . . . 1.0 109.024 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -58.59 -42.29 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 106.457 -1.683 . . . . 1.0 106.457 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.473 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.1 t-20 -48.79 -38.39 21.87 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.112 -2.313 . . . . 1.0 111.388 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -84.51 -33.79 23.47 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.255 -1.339 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.6 t -57.23 -34.43 68.56 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.733 -0.84 . . . . 1.0 108.733 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.473 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 26.1 m0 -56.89 -44.19 82.07 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.193 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -58.66 -44.28 90.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.801 -1.545 . . . . 1.0 109.871 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.5 -48.49 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 124.57 1.169 . . . . 1.0 108.302 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.7 m -56.66 -38.5 72.27 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 113.988 -1.46 . . . . 1.0 110.602 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -73.08 -33.15 65.46 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 113.328 -1.76 . . . . 1.0 114.928 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -94.66 -0.52 54.33 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 113.293 0.849 . . . . 1.0 113.293 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -110.22 -68.8 0.9 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -125.92 55.63 1.45 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.817 -1.538 . . . . 1.0 113.422 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.6 t30 19.07 46.76 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.681 2.475 . . . . 1.0 117.681 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -117.14 165.37 13.48 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 114.075 -1.42 . . . . 1.0 108.927 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.506 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 18.6 t30 -131.65 -1.92 3.81 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 113.807 1.04 . . . . 1.0 113.807 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.506 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -100.86 77.47 1.86 Allowed 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 113.873 1.064 . . . . 1.0 113.873 -179.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 35' ' ' CYS . . . -123.77 168.16 15.98 Favored Glycine 0 N--CA 1.484 1.868 0 CA-C-N 113.796 -1.547 . . . . 1.0 111.795 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 148.72 51.68 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 113.936 -1.132 . . . . 1.0 108.853 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.31 121.9 45.15 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.549 0.944 . . . . 1.0 113.549 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 39.8 mtm -137.05 135.11 37.25 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 106.633 -1.617 . . . . 1.0 106.633 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.67 63.95 0.43 Allowed 'General case' 0 N--CA 1.506 2.346 0 O-C-N 124.944 1.403 . . . . 1.0 109.136 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.72 46.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 111.91 -2.405 . . . . 1.0 113.648 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -137.36 148.31 46.17 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 104.568 -2.382 . . . . 1.0 104.568 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.7 t -110.76 133.51 53.28 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.956 0.884 . . . . 1.0 113.315 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -117.26 107.0 13.89 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.909 -1.886 . . . . 1.0 105.909 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' HA ' ' HA2' ' A' ' 26' ' ' GLY . 57.8 m . . . . . 0 C--N 1.305 -1.326 0 O-C-N 123.925 0.766 . . . . 1.0 111.08 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 107.283 -1.377 . . . . 1.0 107.283 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.411 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 64.9 m -100.86 161.12 13.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -140.25 169.86 16.9 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 113.348 -1.751 . . . . 1.0 111.121 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -121.66 -45.22 2.3 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 103.091 -2.929 . . . . 1.0 103.091 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.48 170.32 16.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.389 -1.732 . . . . 1.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -72.71 -44.15 62.1 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 104.804 -2.295 . . . . 1.0 104.804 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.432 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.3 t-20 -52.23 -31.12 30.65 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.315 -2.22 . . . . 1.0 110.022 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -87.77 -36.18 17.45 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.184 -1.826 . . . . 1.0 108.519 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.68 -33.25 63.98 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 108.407 -0.96 . . . . 1.0 108.407 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 34.0 m0 -56.74 -45.11 82.16 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.285 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -56.44 -44.6 80.62 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 113.799 -1.546 . . . . 1.0 109.985 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.63 -48.61 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 124.695 1.247 . . . . 1.0 108.132 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.9 m -59.54 -32.74 70.6 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.228 -1.351 . . . . 1.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -79.54 -28.46 41.25 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.898 -1.501 . . . . 1.0 114.549 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -96.82 -1.42 46.18 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.121 0.486 . . . . 1.0 111.826 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.1 -69.63 0.85 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.213 -1.358 . . . . 1.0 107.881 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -124.87 56.52 1.31 Allowed 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 113.82 -1.536 . . . . 1.0 113.442 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 t30 17.96 46.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 117.863 2.542 . . . . 1.0 117.863 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -117.15 161.84 18.8 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 114.056 -1.429 . . . . 1.0 108.752 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -134.28 19.95 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.145 0.498 . . . . 1.0 110.242 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -116.87 70.39 0.77 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.691 1.367 . . . . 1.0 114.691 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.05 167.74 21.02 Favored Glycine 0 N--CA 1.484 1.843 0 CA-C-N 114.274 -1.33 . . . . 1.0 111.793 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -133.54 152.82 51.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 113.949 -1.125 . . . . 1.0 108.681 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.43 130.14 50.7 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.603 0.964 . . . . 1.0 113.603 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ptp -143.14 136.87 28.64 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.492 -1.67 . . . . 1.0 106.492 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.3 64.5 0.37 Allowed 'General case' 0 N--CA 1.508 2.442 0 O-C-N 124.513 1.133 . . . . 1.0 109.248 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.91 45.74 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 112.204 -2.271 . . . . 1.0 113.917 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -138.46 146.75 42.47 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 111.695 -2.502 . . . . 1.0 105.349 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -106.25 136.75 45.42 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.759 -0.776 . . . . 1.0 112.474 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 115.65 23.69 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 104.219 -2.511 . . . . 1.0 104.219 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.486 1.36 0 O-C-N 123.758 0.661 . . . . 1.0 111.942 -179.704 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 104.959 -2.237 . . . . 1.0 104.959 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -77.42 156.08 31.38 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 117.211 2.301 . . . . 1.0 117.211 -179.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.6 155.48 38.51 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 111.798 -2.455 . . . . 1.0 108.448 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -102.61 -33.16 9.56 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 104.353 -2.462 . . . . 1.0 104.353 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.29 166.0 33.16 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 113.623 -1.626 . . . . 1.0 109.979 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.6 t -52.74 -44.15 66.23 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 123.496 1.617 . . . . 1.0 108.307 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.495 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 20.2 t-20 -47.61 -39.57 17.25 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 110.949 -2.841 . . . . 1.0 112.059 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -28.71 21.75 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 112.729 -2.032 . . . . 1.0 109.83 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -65.55 -27.72 68.65 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.495 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 36.4 m0 -60.41 -46.88 88.42 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.783 -1.098 . . . . 1.0 108.33 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -54.88 -42.14 71.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.224 -1.807 . . . . 1.0 110.677 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -66.46 -47.49 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 CA-C-N 113.266 -1.788 . . . . 1.0 108.335 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 84.0 m -66.18 -21.86 66.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 124.053 0.846 . . . . 1.0 111.502 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -75.79 -36.58 59.73 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 124.191 0.932 . . . . 1.0 109.708 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 16' ' ' ILE . 12.4 ptp180 -91.81 -9.66 42.68 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 124.031 0.832 . . . . 1.0 111.537 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -105.87 -73.58 0.68 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 114.26 -1.336 . . . . 1.0 110.784 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 23' ' ' THR . 11.9 m-70 -112.11 43.89 1.51 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.93 -1.487 . . . . 1.0 114.545 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.645 ' H ' HD22 ' A' ' 22' ' ' ASN . 2.3 m120 21.25 55.9 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 127.584 2.354 . . . . 1.0 116.898 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 21' ' ' HIS . 2.2 p -134.74 164.62 27.14 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 110.921 -2.854 . . . . 1.0 113.497 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.531 ' H ' HH11 ' A' ' 25' ' ' ARG . 23.4 t30 -125.98 3.35 7.28 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.741 -1.572 . . . . 1.0 110.773 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.531 HH11 ' H ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -114.0 83.31 1.85 Allowed 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 113.595 -1.639 . . . . 1.0 110.718 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.53 171.1 20.82 Favored Glycine 0 C--O 1.215 -1.033 0 CA-C-N 112.585 -2.098 . . . . 1.0 112.482 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.2 130.93 48.76 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 113.236 -1.482 . . . . 1.0 111.436 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -99.82 151.21 21.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.433 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 14.3 ptm 176.46 152.72 0.18 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 124.415 1.072 . . . . 1.0 108.688 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 36.36 55.82 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 CA-C-O 122.936 1.35 . . . . 1.0 110.155 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 36.83 44.74 0.37 Allowed 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 111.646 -2.525 . . . . 1.0 114.605 -179.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 29' ' ' MET . 22.1 ptmt -149.74 153.26 36.61 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 111.323 -2.671 . . . . 1.0 106.057 179.455 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 31.3 t -106.7 157.79 17.45 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 116.058 1.873 . . . . 1.0 116.058 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.87 144.34 50.71 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 113.313 -1.767 . . . . 1.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 179.59 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 108.838 -0.801 . . . . 1.0 108.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.57 ' H ' HH11 ' A' ' 34' ' ' ARG . 50.1 t80 -4.04 127.19 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 117.558 2.429 . . . . 1.0 117.558 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.5 p -124.11 -176.21 3.44 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 112.612 -2.085 . . . . 1.0 110.985 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -109.7 37.41 2.65 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 112.178 -2.283 . . . . 1.0 106.256 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -101.8 153.78 19.51 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 113.01 -1.905 . . . . 1.0 105.926 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 54.1 p -103.98 149.9 24.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 119.507 3.151 . . . . 1.0 119.507 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 p -131.43 170.27 14.9 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 112.532 -2.122 . . . . 1.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.3 m -118.92 -43.97 2.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 110.84 -2.891 . . . . 1.0 103.227 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.46 169.25 18.12 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.656 -1.611 . . . . 1.0 111.432 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -72.71 -46.41 53.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 104.483 -2.414 . . . . 1.0 104.483 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.475 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -50.61 -32.78 19.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 111.786 -2.461 . . . . 1.0 110.127 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -85.12 -38.91 18.51 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.157 -1.838 . . . . 1.0 108.2 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -55.64 -27.14 48.15 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 124.369 1.043 . . . . 1.0 109.219 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.475 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.9 m0 -60.48 -48.73 80.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.238 0.961 . . . . 1.0 109.304 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -54.44 -44.47 72.52 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.226 -1.352 . . . . 1.0 108.954 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -63.96 -39.67 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 113.39 -1.732 . . . . 1.0 108.559 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.527 ' SG ' ' HA3' ' A' ' 26' ' ' GLY . 71.7 m -68.31 -27.77 66.58 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.236 0.96 . . . . 1.0 111.801 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -69.91 -35.59 74.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.808 -1.182 . . . . 1.0 107.808 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -98.6 14.31 28.9 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.845 0.831 . . . . 1.0 111.695 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -113.97 -71.84 0.73 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.034 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -131.68 50.47 2.23 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 112.966 -1.925 . . . . 1.0 109.507 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 24.78 52.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 115.654 1.724 . . . . 1.0 115.654 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -129.92 165.0 22.98 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 113.473 -1.694 . . . . 1.0 112.117 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.464 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 15.0 t30 -125.71 14.07 8.06 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 113.09 -1.868 . . . . 1.0 107.544 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.3 mpt_? -111.13 70.23 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 113.902 -1.499 . . . . 1.0 110.467 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.527 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -122.66 157.43 17.26 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 112.628 -2.078 . . . . 1.0 110.469 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HD3' ' C ' ' A' ' 26' ' ' GLY . 1.3 mppt? -128.36 145.57 51.03 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 112.992 -1.604 . . . . 1.0 108.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -103.97 121.75 43.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 124.267 0.98 . . . . 1.0 109.122 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.2 ptm -133.35 133.17 42.15 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 106.948 -1.501 . . . . 1.0 106.948 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 34.63 64.88 0.38 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 124.853 1.345 . . . . 1.0 108.255 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.55 46.3 0.12 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.072 -2.331 . . . . 1.0 113.853 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 52.5 mtpt -138.41 150.11 46.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 112.205 -2.27 . . . . 1.0 106.228 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.6 138.11 45.45 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.449 1.277 . . . . 1.0 114.449 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.57 HH11 ' H ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -120.53 133.84 55.35 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.297 -2.112 . . . . 1.0 105.297 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 55.6 m -125.46 167.04 15.54 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.233 0.827 . . . . 1.0 113.233 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -111.53 170.44 8.13 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.823 -1.535 . . . . 1.0 107.265 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 N--CA 1.505 2.285 0 O-C-N 124.781 1.301 . . . . 1.0 113.925 -179.708 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 121.504 0.669 . . . . 1.0 110.653 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -75.25 157.35 34.6 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 114.995 -1.002 . . . . 1.0 111.36 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -123.27 176.51 6.07 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.693 -1.139 . . . . 1.0 109.503 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -112.8 36.6 3.4 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 105.805 -1.924 . . . . 1.0 105.805 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.9 160.8 22.71 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 114.186 -1.37 . . . . 1.0 107.903 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -102.91 162.24 13.09 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.967 -1.015 . . . . 1.0 113.022 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -140.35 169.36 17.82 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 112.904 -1.953 . . . . 1.0 110.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -120.47 -44.91 2.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 103.045 -2.946 . . . . 1.0 103.045 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.54 169.44 17.69 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 113.312 -1.767 . . . . 1.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -71.17 -44.21 65.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 104.702 -2.333 . . . . 1.0 104.702 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.6 t-20 -51.79 -32.49 31.46 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 112.161 -2.291 . . . . 1.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -86.42 -36.33 19.19 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.331 -1.759 . . . . 1.0 108.659 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.23 -31.41 65.49 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 124.217 0.948 . . . . 1.0 109.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.466 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 46.3 m0 -54.64 -44.2 72.99 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.765 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.86 -45.75 89.39 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 113.632 -1.622 . . . . 1.0 110.356 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.53 -47.36 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 107.737 -1.209 . . . . 1.0 107.737 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.38 -27.91 68.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 114.9 -1.046 . . . . 1.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -74.05 -29.5 61.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.733 0.645 . . . . 1.0 111.1 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -99.65 -8.89 23.8 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 123.605 0.566 . . . . 1.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 8.5 mp -111.76 -67.53 0.99 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 124.092 0.87 . . . . 1.0 110.106 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.427 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 17.6 m170 -103.96 35.06 2.78 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.078 -1.419 . . . . 1.0 112.265 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 25.85 43.33 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.664 2.098 . . . . 1.0 116.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.426 ' HB ' ' HE ' ' A' ' 25' ' ' ARG . 12.5 p -136.94 167.97 20.47 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 114.93 -1.032 . . . . 1.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.605 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 13.5 t-20 -122.53 21.79 10.09 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 114.033 -1.44 . . . . 1.0 108.203 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.605 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.39 72.96 0.81 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.063 -1.88 . . . . 1.0 108.304 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.96 165.25 16.89 Favored Glycine 0 N--CA 1.483 1.792 0 CA-C-N 113.635 -1.621 . . . . 1.0 112.96 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -138.05 138.89 39.25 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 112.911 -1.645 . . . . 1.0 108.72 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.3 t -103.15 121.5 42.77 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.5 mtp -132.42 133.74 44.27 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.147 -1.427 . . . . 1.0 107.147 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 33.65 66.12 0.25 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 124.993 1.433 . . . . 1.0 108.531 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 32.03 46.2 0.06 Allowed 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 111.795 -2.457 . . . . 1.0 113.976 -179.494 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -135.54 145.12 46.7 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 103.987 -2.597 . . . . 1.0 103.987 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.4 t -106.19 140.65 38.81 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 115.427 1.64 . . . . 1.0 115.427 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.1 tpt180 -121.06 149.05 43.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 112.274 -2.239 . . . . 1.0 108.623 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 18.8 m -127.96 161.41 29.18 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -103.82 -37.76 7.31 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.424 -0.954 . . . . 1.0 108.424 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 116.382 -1.771 . . . . 1.0 107.864 179.796 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.42 ' HA ' ' H ' ' A' ' 35' ' ' CYS . 65.5 t80 -12.37 138.03 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.549 0 N-CA-C 117.69 2.478 . . . . 1.0 117.69 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 p -122.59 176.12 6.1 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.366 -1.288 . . . . 1.0 111.208 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -121.43 41.86 3.23 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 113.067 -1.878 . . . . 1.0 107.601 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -113.18 164.99 12.83 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 105.211 -2.144 . . . . 1.0 105.211 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -105.01 157.66 17.08 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 p -143.29 171.52 14.0 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 111.986 -2.37 . . . . 1.0 110.552 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -117.2 -41.74 2.97 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.195 -2.73 . . . . 1.0 103.78 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.56 171.32 14.67 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.631 -1.622 . . . . 1.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -77.1 -46.85 22.15 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 104.155 -2.535 . . . . 1.0 104.155 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -50.35 -30.41 12.12 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 112.144 -2.298 . . . . 1.0 110.294 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -91.33 -37.8 13.02 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.854 -1.976 . . . . 1.0 108.336 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.53 -29.52 37.11 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 124.37 1.044 . . . . 1.0 109.247 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -58.52 -49.5 77.15 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.256 -1.338 . . . . 1.0 108.421 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.08 -45.85 83.0 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 113.86 -1.518 . . . . 1.0 109.482 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -60.77 -36.99 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.693 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.6 m -81.08 -18.2 47.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 120.115 -0.634 . . . . 1.0 109.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -81.27 -23.85 37.68 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.664 -0.865 . . . . 1.0 108.664 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -102.06 -7.19 22.52 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.841 0.713 . . . . 1.0 109.449 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.2 mp -110.51 -72.27 0.73 Allowed 'General case' 0 N--CA 1.503 2.198 0 CA-C-N 115.132 -0.94 . . . . 1.0 109.719 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -108.45 42.07 1.46 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.58 -1.191 . . . . 1.0 111.093 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 16.51 58.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.343 1.979 . . . . 1.0 116.343 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -140.44 161.85 36.72 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 112.288 -2.233 . . . . 1.0 108.559 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -120.35 18.72 12.18 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.923 0.868 . . . . 1.0 108.669 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.6 mpt_? -114.79 78.25 1.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.343 -1.753 . . . . 1.0 110.281 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.72 166.95 21.72 Favored Glycine 0 N--CA 1.483 1.83 0 CA-C-N 114.327 -1.306 . . . . 1.0 111.662 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -134.67 139.97 45.67 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 114.05 -1.075 . . . . 1.0 108.903 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.8 t -105.47 154.39 20.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 112.625 0.602 . . . . 1.0 112.625 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 ptm -177.03 143.83 0.42 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.75 1.282 . . . . 1.0 108.621 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 35.31 65.89 0.36 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 124.709 1.256 . . . . 1.0 109.355 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.85 44.11 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 112.739 -2.028 . . . . 1.0 113.315 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -140.0 145.51 37.89 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 111.537 -2.574 . . . . 1.0 106.042 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 t -112.87 151.68 30.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.835 0.826 . . . . 1.0 111.856 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -122.98 146.62 47.46 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.007 -1.906 . . . . 1.0 106.953 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.42 ' H ' ' HA ' ' A' ' 2' ' ' PHE . 38.0 m -128.25 163.96 23.6 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 124.018 0.824 . . . . 1.0 109.426 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -115.55 163.91 15.08 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.556 -0.905 . . . . 1.0 108.556 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.494 1.767 0 O-C-N 124.238 0.961 . . . . 1.0 109.343 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 108.514 -0.921 . . . . 1.0 108.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -19.19 138.81 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 115.988 1.847 . . . . 1.0 115.988 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.418 HG23 ' SG ' ' A' ' 35' ' ' CYS . 36.7 p -120.56 174.65 6.43 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 114.87 -1.059 . . . . 1.0 110.998 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -117.34 39.6 3.25 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 113.037 -1.892 . . . . 1.0 108.011 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -110.46 167.71 10.0 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 112.912 -1.949 . . . . 1.0 107.289 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m -104.39 159.05 16.04 Favored 'General case' 0 C--N 1.309 -1.172 0 O-C-N 124.206 0.942 . . . . 1.0 112.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 27.8 p -142.58 170.21 16.13 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.393 -1.73 . . . . 1.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 m -119.69 -44.83 2.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 103.032 -2.951 . . . . 1.0 103.032 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.72 17.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.368 -1.742 . . . . 1.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.4 t -72.76 -44.72 61.26 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -52.21 -31.99 34.49 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 112.108 -2.315 . . . . 1.0 110.057 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -85.94 -37.95 18.5 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 113.255 -1.793 . . . . 1.0 108.381 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 t -56.0 -30.0 61.17 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 124.346 1.029 . . . . 1.0 108.953 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.452 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.0 m0 -58.37 -47.41 83.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 124.293 0.996 . . . . 1.0 109.106 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -57.7 -46.05 84.88 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 113.953 -1.476 . . . . 1.0 109.606 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -59.48 -42.17 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-N 114.408 -1.269 . . . . 1.0 108.68 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.422 ' HB3' HG23 ' A' ' 23' ' ' THR . 73.1 m -72.94 -24.38 60.79 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -74.56 -29.23 61.27 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 123.886 0.741 . . . . 1.0 109.144 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -99.62 -6.1 27.88 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.623 0.577 . . . . 1.0 110.675 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.7 mp -110.91 -71.3 0.77 Allowed 'General case' 0 N--CA 1.504 2.269 0 O-C-N 124.232 0.957 . . . . 1.0 109.327 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -107.3 38.28 2.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.596 1.185 . . . . 1.0 113.254 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.451 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 0.2 OUTLIER 25.95 45.42 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 125.913 1.685 . . . . 1.0 114.86 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.422 HG23 ' HB3' ' A' ' 17' ' ' CYS . 5.3 t -134.98 163.4 29.95 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.586 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.439 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 12.0 t-20 -121.83 20.64 10.86 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 114.573 -1.194 . . . . 1.0 108.621 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -113.15 72.67 0.78 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 113.372 -1.74 . . . . 1.0 109.44 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.58 163.95 23.13 Favored Glycine 0 N--CA 1.481 1.68 0 CA-C-N 113.991 -1.458 . . . . 1.0 112.538 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -131.39 146.68 52.38 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 113.81 -1.195 . . . . 1.0 111.276 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.82 126.5 51.96 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.909 0.756 . . . . 1.0 111.316 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.9 ptm -141.23 136.36 31.61 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.883 -1.525 . . . . 1.0 106.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.26 63.3 0.43 Allowed 'General case' 0 N--CA 1.507 2.423 0 O-C-N 124.576 1.173 . . . . 1.0 109.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.08 46.45 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 112.102 -2.317 . . . . 1.0 113.563 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 94.5 mttt -136.9 148.78 47.24 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 111.807 -2.451 . . . . 1.0 105.293 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.74 151.06 24.92 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 122.274 1.035 . . . . 1.0 113.075 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -123.22 140.45 53.01 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 104.488 -2.412 . . . . 1.0 104.488 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 58.5 m -129.76 155.48 45.87 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.691 -0.855 . . . . 1.0 108.691 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.23 168.55 12.3 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 116.213 -1.851 . . . . 1.0 110.199 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 112.481 0.549 . . . . 1.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -38.9 149.09 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 O-C-N 124.49 1.119 . . . . 1.0 111.937 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.0 p -122.73 173.46 7.73 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.999 0.904 . . . . 1.0 111.285 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.471 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 3.2 pm0 -118.39 35.25 4.84 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 112.517 -2.129 . . . . 1.0 108.059 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.75 162.31 17.47 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 104.582 -2.377 . . . . 1.0 104.582 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 t -101.83 158.82 15.85 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 122.619 1.199 . . . . 1.0 112.499 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.9 p -137.0 168.81 18.88 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 111.655 -2.521 . . . . 1.0 109.927 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -115.42 -45.09 2.94 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 102.492 -3.151 . . . . 1.0 102.492 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.76 168.98 19.44 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.217 -1.811 . . . . 1.0 109.598 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -57.81 -44.67 86.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.473 -1.677 . . . . 1.0 106.473 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -46.05 -34.91 4.43 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 111.579 -2.555 . . . . 1.0 112.607 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -92.06 -32.87 15.01 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 113.732 -1.577 . . . . 1.0 109.803 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 27.1 t -58.6 -32.39 68.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 124.103 0.877 . . . . 1.0 109.525 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -54.08 -46.12 71.95 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 114.196 -1.366 . . . . 1.0 109.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.1 t -57.0 -42.76 80.89 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 113.341 -1.754 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -63.74 -50.92 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.5 m -61.77 -25.26 67.36 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 123.836 0.71 . . . . 1.0 111.242 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -76.0 -32.46 59.43 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 124.099 0.874 . . . . 1.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -98.16 -1.3 42.51 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 120.425 -0.51 . . . . 1.0 111.277 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 5.5 mp -111.93 -68.65 0.92 Allowed 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.767 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -117.72 46.7 1.69 Allowed 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 114.285 -1.325 . . . . 1.0 112.114 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.5 t30 19.49 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 117.258 2.318 . . . . 1.0 117.258 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 p -132.79 161.56 33.77 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.59 -1.641 . . . . 1.0 110.299 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -122.77 1.59 9.39 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 114.512 -1.222 . . . . 1.0 109.981 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -105.04 74.72 1.13 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 122.292 1.044 . . . . 1.0 111.606 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.96 172.3 19.08 Favored Glycine 0 N--CA 1.481 1.696 0 CA-C-N 113.157 -1.838 . . . . 1.0 109.076 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -134.79 157.39 46.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 124.156 0.562 . . . . 1.0 110.728 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.08 145.57 29.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 124.004 0.815 . . . . 1.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ptm -157.2 135.02 10.84 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 114.509 -1.223 . . . . 1.0 108.592 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 25.15 70.53 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 CA-C-O 124.031 1.872 . . . . 1.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.11 47.23 0.18 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.131 -3.668 . . . . 1.0 114.593 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -144.51 148.47 34.53 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 111.508 -2.587 . . . . 1.0 106.364 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.5 t -106.08 149.16 26.99 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.388 0.884 . . . . 1.0 113.388 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.76 151.6 50.17 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 113.376 -1.738 . . . . 1.0 108.603 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 m -124.7 151.32 45.14 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 107.929 -1.138 . . . . 1.0 107.929 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -100.97 -34.56 9.72 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.493 1.682 0 CA-C-N 114.405 -1.27 . . . . 1.0 109.011 179.716 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 121.238 0.542 . . . . 1.0 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -19.0 133.69 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 N-CA-C 117.825 2.528 . . . . 1.0 117.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 p -137.07 178.5 7.03 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 113.519 -1.673 . . . . 1.0 110.437 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -111.46 41.97 1.78 Allowed 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.192 -2.151 . . . . 1.0 105.192 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.69 163.04 12.81 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 104.764 -2.31 . . . . 1.0 104.764 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -106.86 162.6 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 114.534 1.309 . . . . 1.0 114.534 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 p -138.96 175.01 9.91 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 112.149 -2.296 . . . . 1.0 110.618 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.7 m -123.46 -46.98 2.0 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 101.418 -3.549 . . . . 1.0 101.418 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.01 170.6 15.75 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 112.946 -1.934 . . . . 1.0 109.603 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -75.64 -46.19 32.97 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 104.838 -2.282 . . . . 1.0 104.838 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 23.1 t-20 -52.68 -33.26 46.58 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 111.925 -2.398 . . . . 1.0 109.273 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -83.38 -39.06 21.15 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.178 -1.828 . . . . 1.0 107.947 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.7 t -54.5 -29.7 51.06 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 124.295 0.997 . . . . 1.0 109.418 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 42.0 m0 -57.45 -49.82 75.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 124.408 1.067 . . . . 1.0 108.772 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -58.01 -46.31 85.47 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 113.291 -1.777 . . . . 1.0 109.791 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.59 -40.32 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-N 114.515 -1.221 . . . . 1.0 108.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.15 -26.09 61.96 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 124.011 0.819 . . . . 1.0 110.77 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -75.51 -30.52 59.85 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.078 -0.965 . . . . 1.0 110.128 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -100.88 13.04 36.37 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.101 0.953 . . . . 1.0 110.557 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 mp -113.76 -71.99 0.72 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 112.863 -1.971 . . . . 1.0 108.815 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -130.49 51.61 2.1 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.954 -1.93 . . . . 1.0 110.268 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 26.44 52.28 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 115.45 1.648 . . . . 1.0 115.45 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -126.58 158.62 35.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 113.954 -1.475 . . . . 1.0 111.481 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.83 10.54 4.68 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.125 -0.943 . . . . 1.0 112.03 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.552 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 1.1 mpt_? -110.94 67.16 0.64 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.87 0.843 . . . . 1.0 111.86 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.51 167.06 17.98 Favored Glycine 0 N--CA 1.483 1.817 0 CA-C-N 113.6 -1.636 . . . . 1.0 111.869 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -136.82 164.08 29.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.029 -1.1 . . . . 1.0 108.029 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -100.69 126.7 47.24 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 47.5 mtp -124.15 107.67 11.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.549 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 42.41 57.45 3.39 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 122.899 1.333 . . . . 1.0 110.355 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.25 31.54 20.24 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.965 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -131.91 110.74 11.0 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 106.631 -1.618 . . . . 1.0 106.631 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -66.43 134.26 52.14 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 119.534 -0.867 . . . . 1.0 108.928 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -120.87 132.09 54.78 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 105.141 -2.17 . . . . 1.0 105.141 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 33.6 m -113.03 138.53 49.75 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 105.357 -2.09 . . . . 1.0 105.357 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.55 -65.33 1.17 Allowed 'General case' 0 C--N 1.309 -1.178 0 O-C-N 123.914 0.759 . . . . 1.0 110.658 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 N--CA 1.499 1.982 0 CA-C-O 117.01 -1.471 . . . . 1.0 110.399 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 121.588 0.709 . . . . 1.0 111.782 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 34' ' ' ARG . 52.3 t80 -55.59 155.9 5.19 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 114.182 -1.372 . . . . 1.0 111.994 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.2 p -123.8 176.39 6.31 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 123.826 0.704 . . . . 1.0 109.406 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -113.01 35.95 3.71 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 113.491 -1.686 . . . . 1.0 106.899 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -113.58 165.03 12.91 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 113.874 -1.512 . . . . 1.0 108.426 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -105.24 158.37 16.65 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 124.223 0.952 . . . . 1.0 113.495 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 170.37 15.83 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 113.121 -1.854 . . . . 1.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.0 m -119.83 -45.0 2.5 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 102.954 -2.98 . . . . 1.0 102.954 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.09 169.37 17.92 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 113.332 -1.758 . . . . 1.0 110.599 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -45.45 65.4 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 104.033 -2.58 . . . . 1.0 104.033 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -48.37 -31.97 6.89 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 111.92 -2.4 . . . . 1.0 111.131 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.69 -37.15 14.79 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 112.869 -1.969 . . . . 1.0 108.882 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -55.34 -29.8 59.05 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 124.308 1.005 . . . . 1.0 109.052 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -59.58 -48.64 80.88 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 114.29 -1.323 . . . . 1.0 108.706 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -54.6 -43.83 72.51 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 114.057 -1.429 . . . . 1.0 109.473 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -61.36 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-N 114.239 -1.346 . . . . 1.0 108.325 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.7 m -69.93 -20.44 63.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 124.09 0.869 . . . . 1.0 111.528 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.49 -29.38 37.37 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 124.143 0.902 . . . . 1.0 109.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -99.91 2.63 43.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 123.746 0.654 . . . . 1.0 110.646 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 2.8 mp -111.59 -69.85 0.84 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 113.98 -1.464 . . . . 1.0 108.65 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -126.87 55.47 1.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 113.472 -1.695 . . . . 1.0 112.042 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 17.72 50.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 118.422 2.749 . . . . 1.0 118.422 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -129.56 159.61 35.81 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 113.68 -1.6 . . . . 1.0 111.435 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 14.5 t30 -123.19 16.5 9.89 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 113.715 -1.584 . . . . 1.0 108.343 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.5 mpt_? -112.98 74.01 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.771 -1.559 . . . . 1.0 110.468 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.33 168.04 20.34 Favored Glycine 0 N--CA 1.482 1.71 0 CA-C-N 113.634 -1.621 . . . . 1.0 111.613 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -133.71 144.84 49.38 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 114.201 -1.0 . . . . 1.0 111.081 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -104.16 122.0 44.43 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 123.955 0.785 . . . . 1.0 110.995 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.7 mtm -133.48 130.43 38.57 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 106.388 -1.708 . . . . 1.0 106.388 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.7 t30 34.1 66.25 0.27 Allowed 'General case' 0 N--CA 1.505 2.285 0 O-C-N 124.829 1.331 . . . . 1.0 109.392 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 35.69 43.49 0.17 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 111.505 -2.589 . . . . 1.0 114.595 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 9.3 mtmp? -134.63 147.61 50.21 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 104.552 -2.388 . . . . 1.0 104.552 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.19 152.95 22.81 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.026 1.121 . . . . 1.0 114.026 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -128.2 147.41 50.57 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 113.143 -1.844 . . . . 1.0 107.406 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 51.1 m -128.47 164.48 22.66 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.564 -0.902 . . . . 1.0 108.564 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -108.56 -28.85 9.07 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.687 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.503 2.207 0 O-C-N 125.425 1.703 . . . . 1.0 115.504 179.678 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 34' ' ' ARG . 48.9 t80 -54.49 157.67 2.78 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 114.798 -1.092 . . . . 1.0 111.248 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -122.76 176.29 6.05 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.441 0.639 . . . . 1.0 109.769 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -114.97 32.44 6.03 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 113.574 -1.648 . . . . 1.0 107.765 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -114.23 164.98 13.16 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 113.747 -1.57 . . . . 1.0 109.235 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -101.44 163.64 12.17 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.797 -1.092 . . . . 1.0 112.681 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.1 p -137.83 168.27 20.03 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.33 -1.759 . . . . 1.0 110.799 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -121.04 -48.03 2.25 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 102.302 -3.221 . . . . 1.0 102.302 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.46 166.06 26.75 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 113.03 -1.896 . . . . 1.0 108.54 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.6 t -58.38 -44.46 88.9 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 106.384 -1.71 . . . . 1.0 106.384 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.2 t-20 -49.07 -38.76 25.27 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 111.643 -2.526 . . . . 1.0 111.491 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.35 -32.57 26.17 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.189 -1.369 . . . . 1.0 109.907 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.12 -34.48 72.09 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.409 -0.96 . . . . 1.0 108.409 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.467 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 30.2 m0 -55.63 -41.43 73.53 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.743 -1.117 . . . . 1.0 109.946 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -57.63 -43.13 84.6 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.203 -1.362 . . . . 1.0 110.107 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -63.64 -53.47 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 106.225 -1.769 . . . . 1.0 106.225 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.1 m -50.66 -33.97 24.64 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.866 -1.061 . . . . 1.0 111.265 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmpt? -74.68 -35.68 62.78 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.619 -1.628 . . . . 1.0 111.825 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -97.29 3.77 51.12 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.127 0.489 . . . . 1.0 111.807 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -111.25 -65.06 1.21 Allowed 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 114.377 -1.283 . . . . 1.0 108.326 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -131.91 52.91 2.03 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.992 -1.458 . . . . 1.0 111.869 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 18.87 55.15 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.411 2.004 . . . . 1.0 116.411 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -129.03 163.19 25.93 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 113.201 -1.818 . . . . 1.0 110.424 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.538 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 16.1 t30 -129.94 13.02 5.76 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 114.534 -1.212 . . . . 1.0 110.181 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.538 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.19 72.79 0.95 Allowed 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.177 -1.374 . . . . 1.0 111.083 -179.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.79 166.52 22.53 Favored Glycine 0 N--CA 1.484 1.85 0 CA-C-N 115.121 -0.945 . . . . 1.0 112.886 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -133.37 155.22 49.86 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 114.112 -1.044 . . . . 1.0 110.575 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -106.83 116.82 32.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 124.696 1.248 . . . . 1.0 111.158 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.7 mtm -132.21 126.4 33.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 124.148 0.905 . . . . 1.0 108.572 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 39.91 59.27 1.96 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 122.577 1.18 . . . . 1.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt 46.0 37.75 4.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 112.232 -2.258 . . . . 1.0 114.053 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.77 153.94 50.74 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.764 -1.939 . . . . 1.0 105.764 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.0 t -110.73 145.27 38.36 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.786 -0.766 . . . . 1.0 112.684 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -125.47 131.88 52.78 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.857 -2.275 . . . . 1.0 104.857 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 64.1 m -121.44 165.54 15.43 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.182 0.515 . . . . 1.0 111.349 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -117.68 -165.75 1.12 Allowed 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.537 -1.211 . . . . 1.0 108.456 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.3 m . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 116.474 -1.727 . . . . 1.0 109.294 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -47.48 154.66 0.42 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 113.863 -1.517 . . . . 1.0 111.826 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.0 p -123.35 172.25 8.81 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -117.01 37.83 3.71 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.341 -1.3 . . . . 1.0 108.728 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -116.58 165.72 12.93 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 113.833 -1.531 . . . . 1.0 107.815 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.457 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 67.2 m -98.41 163.22 12.78 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 112.069 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.0 p -139.19 168.89 18.82 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.766 -1.561 . . . . 1.0 111.225 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -119.48 -47.81 2.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.318 -3.215 . . . . 1.0 102.318 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.54 168.92 20.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.002 -1.908 . . . . 1.0 109.327 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -57.91 -43.19 86.05 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 106.922 -1.51 . . . . 1.0 106.922 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.459 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 24.1 t-20 -49.23 -39.23 29.25 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 111.928 -2.396 . . . . 1.0 111.403 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -33.97 27.16 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.247 -1.342 . . . . 1.0 109.371 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 42.9 t -58.61 -33.6 70.19 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 123.918 0.761 . . . . 1.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.459 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 29.2 m0 -55.63 -43.5 76.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 124.066 0.854 . . . . 1.0 109.219 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 t -58.98 -44.2 91.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 113.806 -1.543 . . . . 1.0 109.746 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.75 -47.6 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' HA3' ' A' ' 26' ' ' GLY . 22.6 m -58.03 -37.79 75.02 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 114.393 -1.276 . . . . 1.0 110.792 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.679 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -72.48 -35.79 68.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 113.389 -1.732 . . . . 1.0 114.371 -179.728 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HB3' ' HZ3' ' A' ' 18' ' ' LYS . 12.4 ptp180 -91.42 -0.85 57.69 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.974 0.731 . . . . 1.0 112.974 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.99 -69.41 0.87 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.541 -1.281 . . . . 1.0 107.541 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -125.5 54.68 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.894 -1.503 . . . . 1.0 113.206 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.2 t30 18.71 48.02 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 116.972 2.212 . . . . 1.0 116.972 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -118.23 162.75 17.74 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 113.678 -1.601 . . . . 1.0 109.596 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 10.1 t30 -133.42 24.52 4.11 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 115.3 -0.864 . . . . 1.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 24' ' ' ASN . 1.2 mpt_? -112.32 67.59 0.66 Allowed 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 114.006 -1.452 . . . . 1.0 111.6 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -127.97 164.06 21.42 Favored Glycine 0 N--CA 1.484 1.883 0 CA-C-N 115.274 -0.876 . . . . 1.0 114.289 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 13.9 ptmm? -137.26 158.38 44.55 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.22 -1.49 . . . . 1.0 109.292 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -107.52 132.16 53.54 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.619 0.97 . . . . 1.0 113.619 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptp -145.42 133.17 21.08 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 106.896 -1.52 . . . . 1.0 106.896 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.52 64.34 0.4 Allowed 'General case' 0 N--CA 1.508 2.436 0 O-C-N 124.293 0.996 . . . . 1.0 109.484 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.85 44.81 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 112.129 -2.305 . . . . 1.0 113.978 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -137.3 147.99 46.04 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 111.582 -2.554 . . . . 1.0 105.147 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.7 t -105.64 143.26 34.05 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.885 -0.726 . . . . 1.0 112.882 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -125.48 115.42 20.21 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.006 -2.22 . . . . 1.0 105.006 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.4 m -110.82 164.67 12.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 123.992 0.808 . . . . 1.0 112.368 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -116.78 -165.93 1.11 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.925 -1.489 . . . . 1.0 108.921 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.6 p . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 115.916 -1.992 . . . . 1.0 110.68 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 107.317 -1.364 . . . . 1.0 107.317 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.502 ' HA ' ' H ' ' A' ' 35' ' ' CYS . 64.3 t80 -11.72 133.22 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.532 0 N-CA-C 117.47 2.396 . . . . 1.0 117.47 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.416 HG23 ' SG ' ' A' ' 35' ' ' CYS . 33.3 p -121.16 166.07 14.48 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 113.845 -1.525 . . . . 1.0 109.436 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.67 39.67 2.77 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 113.435 -1.711 . . . . 1.0 107.937 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -111.76 165.39 12.09 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 105.745 -1.946 . . . . 1.0 105.745 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.426 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 66.4 m -100.28 161.49 13.57 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.644 0.735 . . . . 1.0 111.938 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 30.5 p -138.16 170.79 15.41 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 113.401 -1.727 . . . . 1.0 110.571 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.5 m -122.1 -45.86 2.22 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 102.322 -3.214 . . . . 1.0 102.322 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.62 167.2 22.15 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.285 -1.78 . . . . 1.0 110.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 t -67.67 -45.08 76.26 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 104.795 -2.298 . . . . 1.0 104.795 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.474 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.7 t-20 -50.81 -32.87 21.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 111.66 -2.518 . . . . 1.0 110.37 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -85.45 -36.46 20.59 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.441 -1.709 . . . . 1.0 108.736 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 t -56.62 -31.38 64.26 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.474 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 44.8 m0 -56.37 -44.71 80.42 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.42 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.9 t -58.63 -43.36 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 113.914 -1.494 . . . . 1.0 110.205 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.96 -51.24 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.774 -1.195 . . . . 1.0 107.774 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.33 -33.81 69.92 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.393 -1.276 . . . . 1.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HB3' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.97 -37.12 72.77 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 114.625 -1.17 . . . . 1.0 110.99 -179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.466 HH21 ' NZ ' ' A' ' 18' ' ' LYS . 12.5 ptp180 -92.49 -5.55 51.61 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 120.448 -0.501 . . . . 1.0 111.499 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -111.0 -71.89 0.74 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.212 0.945 . . . . 1.0 110.037 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -110.22 42.56 1.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.273 0.983 . . . . 1.0 111.785 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.5 t30 22.01 51.21 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 115.924 1.824 . . . . 1.0 115.924 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.437 ' HB ' ' HE ' ' A' ' 25' ' ' ARG . 1.6 p -133.12 163.13 29.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.469 -1.696 . . . . 1.0 110.865 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.63 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 13.2 t-20 -127.23 15.21 7.25 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.075 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.63 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -110.04 65.6 0.62 Allowed 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.62 -1.173 . . . . 1.0 111.542 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.429 ' C ' ' HD3' ' A' ' 27' ' ' LYS . . . -122.58 161.71 16.67 Favored Glycine 0 N--CA 1.483 1.775 0 CA-C-N 113.459 -1.7 . . . . 1.0 112.407 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -125.97 151.67 46.71 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 113.398 -1.401 . . . . 1.0 110.018 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.5 t -104.41 116.98 33.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.141 0.9 . . . . 1.0 109.52 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.2 mtp -133.08 128.76 36.9 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 123.902 0.751 . . . . 1.0 109.0 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 39.12 61.12 1.34 Allowed 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 123.026 1.393 . . . . 1.0 109.923 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 45.9 36.85 3.14 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 mtpm? -134.23 157.93 45.03 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.843 -1.54 . . . . 1.0 106.843 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.2 t -113.32 139.41 48.87 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.588 0.709 . . . . 1.0 111.097 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -121.91 134.66 54.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.543 -2.762 . . . . 1.0 103.543 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.502 ' H ' ' HA ' ' A' ' 2' ' ' PHE . 55.8 m -121.88 160.86 23.88 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -118.22 161.26 20.19 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 123.817 0.698 . . . . 1.0 109.446 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 116.829 2.159 . . . . 1.0 116.829 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 107.707 -1.22 . . . . 1.0 107.707 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -17.39 137.09 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 116.592 2.071 . . . . 1.0 116.592 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 p -120.68 174.73 6.4 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 114.263 -1.335 . . . . 1.0 110.562 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -117.26 40.6 2.99 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 112.995 -1.912 . . . . 1.0 107.035 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -110.7 167.73 10.01 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 112.69 -2.05 . . . . 1.0 107.836 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -106.49 160.16 15.62 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 124.348 1.03 . . . . 1.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -141.79 169.75 17.01 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.433 -1.712 . . . . 1.0 111.302 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -119.28 -44.78 2.57 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 102.91 -2.996 . . . . 1.0 102.91 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.49 169.23 18.15 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 113.531 -1.668 . . . . 1.0 110.963 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -73.1 -44.62 60.1 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 104.726 -2.324 . . . . 1.0 104.726 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.4 t-20 -51.84 -32.2 30.83 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 112.083 -2.326 . . . . 1.0 110.167 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.04 -38.03 18.28 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.031 -1.895 . . . . 1.0 108.458 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 t -55.88 -30.96 62.36 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.277 0.986 . . . . 1.0 109.208 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.443 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 33.0 m0 -58.99 -46.66 87.61 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.78 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.3 t -58.32 -44.37 88.61 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 113.836 -1.529 . . . . 1.0 109.886 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -58.73 -46.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 124.653 1.221 . . . . 1.0 108.16 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.8 m -63.09 -33.77 76.17 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.052 -0.976 . . . . 1.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 18' ' ' LYS . 6.7 ttpm? -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -96.0 -5.48 41.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 123.611 0.569 . . . . 1.0 112.065 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -111.16 -71.5 0.76 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 124.227 0.954 . . . . 1.0 109.164 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -110.2 42.68 1.5 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 124.539 1.149 . . . . 1.0 112.289 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 23.02 46.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 117.095 2.257 . . . . 1.0 117.095 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -131.64 166.46 21.4 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.469 -1.241 . . . . 1.0 111.025 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.545 ' H ' ' NE ' ' A' ' 25' ' ' ARG . 14.5 t30 -126.13 13.29 7.78 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.992 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.545 ' NE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -105.92 68.54 0.78 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 114.085 -1.416 . . . . 1.0 109.544 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.07 163.98 15.31 Favored Glycine 0 N--CA 1.483 1.822 0 CA-C-N 114.599 -1.182 . . . . 1.0 114.085 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -135.27 145.88 48.0 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 113.331 -1.434 . . . . 1.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.1 t -104.14 127.05 51.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.488 0.493 . . . . 1.0 111.266 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptm -142.62 136.19 28.89 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.05 63.41 0.41 Allowed 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.661 1.226 . . . . 1.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.31 46.79 0.07 Allowed 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 112.105 -2.316 . . . . 1.0 113.743 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.89 149.0 47.38 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 111.496 -2.593 . . . . 1.0 105.139 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -110.2 144.33 39.02 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.373 1.249 . . . . 1.0 114.373 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -115.1 144.81 43.08 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 111.721 -2.491 . . . . 1.0 107.168 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.1 m -134.91 150.51 50.43 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 124.228 0.955 . . . . 1.0 108.601 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -123.64 -179.62 4.43 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 123.066 0.547 . . . . 1.0 110.79 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 p . . . . . 0 N--CA 1.503 2.183 0 N-CA-C 116.22 1.933 . . . . 1.0 116.22 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.411 ' CD ' ' HB2' ' A' ' 35' ' ' CYS . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 119.379 -0.343 . . . . 1.0 110.494 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -15.66 132.59 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.258 0 O-C-N 125.152 1.533 . . . . 1.0 114.606 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.496 HG23 ' SG ' ' A' ' 35' ' ' CYS . 44.3 p -115.22 172.4 7.1 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 115.415 -0.811 . . . . 1.0 110.507 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -118.84 39.29 3.55 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 112.974 -1.921 . . . . 1.0 108.544 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.45 163.15 13.46 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 104.112 -2.551 . . . . 1.0 104.112 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 47.2 t -93.11 159.34 15.33 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.677 0.751 . . . . 1.0 111.956 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.6 p -137.47 165.57 25.95 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 113.141 -1.845 . . . . 1.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -119.42 -47.35 2.45 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 102.584 -3.117 . . . . 1.0 102.584 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.72 168.95 19.48 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.078 -1.874 . . . . 1.0 109.461 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 t -62.11 -43.25 99.25 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.101 -1.814 . . . . 1.0 106.101 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 45.2 t30 -48.35 -33.31 8.78 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 111.988 -2.369 . . . . 1.0 111.985 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -91.47 -34.17 14.92 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.209 -1.36 . . . . 1.0 109.024 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.71 -32.66 65.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 124.22 0.95 . . . . 1.0 109.115 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 40.1 m0 -57.19 -46.1 83.13 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.37 -1.286 . . . . 1.0 109.484 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -56.36 -44.61 80.27 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 125.136 1.523 . . . . 1.0 110.678 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.31 -52.0 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 124.66 1.225 . . . . 1.0 107.889 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 63.4 m -64.36 -21.9 66.78 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.581 -1.19 . . . . 1.0 111.685 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -78.96 -32.2 45.3 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 124.055 0.847 . . . . 1.0 110.093 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -98.34 -1.15 42.37 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 123.618 0.574 . . . . 1.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -111.45 -70.29 0.82 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 114.525 -1.216 . . . . 1.0 108.937 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -119.34 48.12 1.56 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.362 1.038 . . . . 1.0 111.913 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 13.87 59.02 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 7.8 t -137.41 160.73 38.26 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 112.436 -2.165 . . . . 1.0 108.266 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.44 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 12.2 t-20 -124.22 20.73 8.92 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 114.854 -1.066 . . . . 1.0 108.625 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 3.7 mpt_? -114.05 67.82 0.68 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 113.484 -1.689 . . . . 1.0 110.673 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.69 166.84 22.9 Favored Glycine 0 N--CA 1.482 1.728 0 CA-C-N 114.108 -1.406 . . . . 1.0 110.594 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -136.42 157.94 45.6 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 114.57 -0.815 . . . . 1.0 112.402 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.1 t -103.01 125.16 49.65 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 114.53 -1.214 . . . . 1.0 112.617 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.6 mtm -141.6 139.02 33.01 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 106.272 -1.751 . . . . 1.0 106.272 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.4 t30 33.97 60.26 0.54 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 123.473 1.606 . . . . 1.0 112.227 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 tptm 43.13 36.37 0.96 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 111.491 -2.595 . . . . 1.0 114.808 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 22.2 pttm -139.57 156.33 46.95 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.4 -1.704 . . . . 1.0 106.4 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 1.1 tmt_? -123.11 145.11 48.85 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.297 -2.229 . . . . 1.0 106.617 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.496 ' SG ' HG23 ' A' ' 3' ' ' THR . 38.3 m -123.63 163.58 20.77 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.372 -0.973 . . . . 1.0 108.372 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -111.1 84.65 1.97 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.077 1.51 . . . . 1.0 115.077 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.505 2.316 0 CA-C-O 116.038 -1.934 . . . . 1.0 114.026 179.629 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 114.063 1.134 . . . . 1.0 114.063 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -48.14 158.56 0.24 Allowed 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 114.643 -1.162 . . . . 1.0 111.9 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -122.74 176.8 5.76 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.769 0.795 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -114.82 38.46 3.13 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 113.078 -1.874 . . . . 1.0 106.257 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -114.89 166.0 12.24 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.5 -1.682 . . . . 1.0 108.646 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -106.3 160.52 15.3 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.443 1.089 . . . . 1.0 111.771 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.37 167.33 21.81 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 112.725 -2.034 . . . . 1.0 110.656 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.8 m -117.75 -47.14 2.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 102.206 -3.257 . . . . 1.0 102.206 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.31 167.5 22.29 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.085 -1.871 . . . . 1.0 108.919 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -63.07 -44.23 96.36 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.459 -1.682 . . . . 1.0 106.459 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.9 t-20 -48.12 -38.26 17.34 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 112.03 -2.35 . . . . 1.0 111.676 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.55 -35.33 22.91 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.112 -1.403 . . . . 1.0 108.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.41 -29.8 64.41 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 124.052 0.845 . . . . 1.0 109.312 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 32.7 m0 -59.3 -48.48 81.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.239 0.962 . . . . 1.0 108.585 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -55.85 -45.25 78.51 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 113.97 -1.468 . . . . 1.0 109.754 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -60.61 -44.52 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-N 114.334 -1.303 . . . . 1.0 108.513 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.2 m -73.34 -18.43 61.19 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -81.31 -27.59 34.96 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 123.928 0.768 . . . . 1.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -100.18 -7.07 25.18 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.837 0.711 . . . . 1.0 109.904 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 7.0 mp -110.79 -71.53 0.76 Allowed 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.33 1.019 . . . . 1.0 109.903 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.443 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 16.6 m170 -107.57 40.36 1.72 Allowed 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.369 -1.287 . . . . 1.0 111.928 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 17.4 56.57 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 116.414 2.005 . . . . 1.0 116.414 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.2 t -139.26 166.43 24.55 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.832 -1.985 . . . . 1.0 108.989 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.509 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 21.2 t30 -120.57 8.21 10.67 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.16 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.509 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.24 80.17 1.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.452 -1.249 . . . . 1.0 109.6 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.53 165.09 20.76 Favored Glycine 0 N--CA 1.482 1.754 0 CA-C-N 114.654 -1.157 . . . . 1.0 111.834 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -132.96 143.38 49.42 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 114.172 -1.014 . . . . 1.0 111.297 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -101.57 122.47 43.9 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.503 0.502 . . . . 1.0 109.975 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -139.88 134.61 31.88 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.922 -1.14 . . . . 1.0 107.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 34.09 63.2 0.42 Allowed 'General case' 0 N--CA 1.507 2.405 0 O-C-N 124.683 1.239 . . . . 1.0 109.345 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.9 47.02 0.16 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 112.112 -2.313 . . . . 1.0 113.388 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -137.76 150.44 47.26 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-N 111.838 -2.437 . . . . 1.0 105.234 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.31 146.52 32.82 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.787 1.402 . . . . 1.0 114.787 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD2' ' H ' ' A' ' 35' ' ' CYS . 8.3 tpt180 -118.11 147.79 42.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 112.587 -2.097 . . . . 1.0 108.087 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.414 ' H ' ' HD2' ' A' ' 34' ' ' ARG . 39.7 m -130.08 153.45 48.46 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.772 -1.195 . . . . 1.0 107.772 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 37' ' ' SER . 19.0 m-85 -116.01 173.77 6.39 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 36' ' ' TYR . 31.5 m . . . . . 0 N--CA 1.5 2.028 0 O-C-N 125.814 1.946 . . . . 1.0 108.791 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 111.344 0.127 . . . . 1.0 111.344 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.534 ' H ' HH11 ' A' ' 34' ' ' ARG . 54.1 t80 -23.79 140.3 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 115.562 1.69 . . . . 1.0 115.562 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -124.94 -176.38 3.54 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 114.67 -1.15 . . . . 1.0 111.993 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -111.6 36.21 3.35 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 112.44 -2.164 . . . . 1.0 108.188 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -102.5 158.49 16.18 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 105.074 -2.195 . . . . 1.0 105.074 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 p -98.63 158.5 15.57 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 116.426 2.01 . . . . 1.0 116.426 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 23.0 p -137.84 167.36 21.89 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 112.883 -1.962 . . . . 1.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -118.28 -47.62 2.55 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 102.355 -3.202 . . . . 1.0 102.355 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.54 168.27 21.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 112.751 -2.022 . . . . 1.0 108.173 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -43.78 94.04 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 105.436 -2.061 . . . . 1.0 105.436 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -47.66 -34.15 7.7 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 111.657 -2.52 . . . . 1.0 111.671 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -34.66 14.67 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 114.221 -1.354 . . . . 1.0 108.528 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.9 t -56.94 -25.63 57.98 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.388 1.055 . . . . 1.0 109.136 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -65.64 -52.19 53.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.34 1.025 . . . . 1.0 108.571 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 t -54.34 -41.96 69.7 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 114.322 -1.308 . . . . 1.0 109.606 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -66.63 -46.68 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 113.861 -1.518 . . . . 1.0 107.613 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 69.2 m -65.39 -20.59 66.44 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 124.267 0.979 . . . . 1.0 112.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -72.06 -36.99 69.72 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 105.66 -1.978 . . . . 1.0 105.66 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -99.46 9.23 43.64 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.796 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 tp -114.04 -69.38 0.86 Allowed 'General case' 0 N--CA 1.504 2.24 0 CA-C-N 114.246 -1.343 . . . . 1.0 108.927 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.74 45.35 2.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 18.97 59.48 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.985 1.846 . . . . 1.0 115.985 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.422 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 7.6 t -141.2 166.65 24.2 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 112.279 -2.237 . . . . 1.0 109.444 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.529 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 11.3 t-20 -125.15 4.6 7.87 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 114.845 -1.07 . . . . 1.0 109.859 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -109.93 72.84 0.81 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 122.462 1.125 . . . . 1.0 108.943 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.28 169.09 14.85 Favored Glycine 0 N--CA 1.482 1.741 0 CA-C-N 112.881 -1.963 . . . . 1.0 110.785 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.82 148.2 52.31 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.725 1.009 . . . . 1.0 113.725 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.6 t -102.78 122.07 43.74 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.033 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptm -138.01 133.21 33.33 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.534 -1.284 . . . . 1.0 107.534 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 34.08 65.72 0.3 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 124.662 1.226 . . . . 1.0 109.077 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.33 45.72 0.09 Allowed 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.163 -2.29 . . . . 1.0 113.946 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 43.5 mmtm -136.95 152.39 50.12 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 111.971 -2.377 . . . . 1.0 105.563 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 42.2 t -110.86 144.36 40.01 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.292 1.59 . . . . 1.0 115.292 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.534 HH11 ' H ' ' A' ' 2' ' ' PHE . 8.8 tpt180 -116.95 145.93 43.31 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 111.374 -2.648 . . . . 1.0 108.321 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.8 m -132.5 149.62 52.3 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 105.668 -1.975 . . . . 1.0 105.668 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -122.46 -82.76 0.65 Allowed 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.241 0.46 . . . . 1.0 112.241 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 117.198 -1.382 . . . . 1.0 110.239 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.844 0.831 . . . . 1.0 110.405 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -53.45 161.57 0.96 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 113.873 -1.512 . . . . 1.0 112.217 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.3 p -124.45 177.29 5.98 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.921 0.867 . . . . 1.0 110.435 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -116.38 33.48 5.53 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 105.635 -1.987 . . . . 1.0 105.635 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.99 160.14 24.16 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 106.744 -1.576 . . . . 1.0 106.744 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 50.1 m -94.78 161.17 14.28 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 123.784 0.677 . . . . 1.0 112.488 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 20.5 p -138.57 166.22 24.88 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.263 -1.335 . . . . 1.0 110.767 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.7 m -120.12 -48.26 2.34 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 102.54 -3.133 . . . . 1.0 102.54 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.69 167.48 23.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 112.983 -1.917 . . . . 1.0 108.895 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -62.23 -41.91 98.84 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 105.866 -1.901 . . . . 1.0 105.866 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -49.47 -33.97 15.7 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 111.697 -2.501 . . . . 1.0 111.543 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -90.55 -33.87 15.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.335 -1.302 . . . . 1.0 108.972 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 t -57.16 -32.71 66.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 124.246 0.966 . . . . 1.0 109.376 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -54.91 -47.7 74.04 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 114.597 -1.183 . . . . 1.0 109.795 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -53.37 -42.84 67.29 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 125.415 1.697 . . . . 1.0 111.105 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.9 mp -66.3 -50.86 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 114.368 -1.287 . . . . 1.0 107.733 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 78.2 m -66.25 -15.84 63.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 124.286 0.991 . . . . 1.0 111.958 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -81.41 -29.85 33.76 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 16' ' ' ILE . 12.9 ptp180 -102.81 5.18 38.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.826 0.704 . . . . 1.0 110.076 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -112.8 -66.24 1.1 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 114.14 -1.391 . . . . 1.0 109.007 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -127.2 48.09 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.488 -1.687 . . . . 1.0 111.538 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 16.84 57.64 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 113.399 -1.728 . . . . 1.0 115.449 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 17' ' ' CYS . 10.1 t -137.25 163.7 30.3 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 112.691 -2.05 . . . . 1.0 111.013 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -126.9 20.26 7.04 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.681 -1.6 . . . . 1.0 107.361 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.62 66.28 0.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.201 -1.818 . . . . 1.0 109.017 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.63 165.68 20.61 Favored Glycine 0 N--CA 1.481 1.638 0 CA-C-N 113.485 -1.689 . . . . 1.0 111.491 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -135.07 155.36 50.86 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 114.095 -1.052 . . . . 1.0 112.159 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -103.46 129.18 50.55 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.6 ptm -143.83 137.69 28.15 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.871 -1.529 . . . . 1.0 106.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 27.75 68.53 0.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 123.777 1.751 . . . . 1.0 110.681 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.44 44.87 0.07 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 109.572 -3.467 . . . . 1.0 114.514 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 34.6 mtmm -143.49 155.48 44.36 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 112.188 -2.278 . . . . 1.0 107.608 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.3 t -103.67 152.99 21.15 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 117.019 2.229 . . . . 1.0 117.019 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -124.5 143.65 50.54 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 112.151 -2.295 . . . . 1.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.3 m -127.28 155.55 43.33 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 105.918 -1.882 . . . . 1.0 105.918 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -126.86 -62.44 1.12 Allowed 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 113.176 0.806 . . . . 1.0 113.176 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.496 1.863 0 O-C-N 123.99 0.806 . . . . 1.0 109.338 -179.849 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.45 ' N ' ' HB2' ' A' ' 35' ' ' CYS . . . . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.352 0.12 . . . . 1.0 110.821 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -25.89 138.23 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 125.379 1.674 . . . . 1.0 113.234 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 p -119.28 171.62 8.18 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.865 0.841 . . . . 1.0 110.546 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -118.86 38.23 3.86 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.706 -2.043 . . . . 1.0 108.463 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.63 159.69 20.17 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 104.931 -2.248 . . . . 1.0 104.931 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 m -96.05 159.58 14.89 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 121.825 0.821 . . . . 1.0 112.284 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.0 p -140.29 168.14 20.51 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.005 -1.907 . . . . 1.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -120.13 -44.07 2.51 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 103.58 -2.748 . . . . 1.0 103.58 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.26 168.39 19.26 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.448 -1.705 . . . . 1.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 t -71.27 -44.35 65.43 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 105.092 -2.188 . . . . 1.0 105.092 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.444 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.1 t-20 -51.64 -30.86 23.17 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 112.379 -2.191 . . . . 1.0 110.385 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -88.3 -36.26 16.77 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.3 -1.773 . . . . 1.0 108.64 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -56.46 -32.54 65.06 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 124.064 0.852 . . . . 1.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.444 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 43.2 m0 -54.8 -46.29 74.48 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 114.59 -1.186 . . . . 1.0 109.276 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.6 t -55.75 -41.33 73.8 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.327 -1.761 . . . . 1.0 110.309 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.22 -49.3 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 124.473 1.108 . . . . 1.0 108.011 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.72 -24.62 67.76 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.71 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -43.72 24.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 124.14 0.9 . . . . 1.0 111.44 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HG3' ' CD1' ' A' ' 20' ' ' LEU . 11.7 ptp180 -82.95 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 120.127 -0.629 . . . . 1.0 112.476 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.62 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 10.4 mp -111.59 -64.94 1.22 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 124.113 0.883 . . . . 1.0 110.722 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.62 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 55.1 m-70 -109.85 37.51 2.64 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.573 -1.649 . . . . 1.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 23.5 49.58 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 116.106 1.891 . . . . 1.0 116.106 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 p -134.3 162.75 31.31 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 113.859 -1.518 . . . . 1.0 110.351 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.463 ' C ' ' HE ' ' A' ' 25' ' ' ARG . 20.6 t-20 -126.78 -0.58 6.69 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.406 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HE ' ' C ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -97.26 70.91 2.36 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.992 -179.743 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.83 168.92 15.12 Favored Glycine 0 N--CA 1.487 2.047 0 CA-C-N 114.496 -1.229 . . . . 1.0 112.563 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -131.36 147.08 52.53 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 114.079 -1.061 . . . . 1.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.16 135.9 44.78 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 123.967 0.792 . . . . 1.0 110.585 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.4 ptm -156.96 146.54 20.56 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.215 -1.402 . . . . 1.0 107.215 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.9 t30 32.88 58.52 0.44 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-O 123.365 1.555 . . . . 1.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 36.23 42.56 0.18 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.308 -2.678 . . . . 1.0 114.93 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -141.87 153.22 44.29 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.1 t -108.43 146.21 33.44 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 114.028 1.122 . . . . 1.0 114.028 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 1.1 tmt_? -126.94 154.43 44.52 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 112.894 -1.957 . . . . 1.0 107.049 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' HB2' ' N ' ' A' ' 1' ' ' PCA . 23.4 m -127.12 146.95 50.2 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.775 -1.195 . . . . 1.0 107.775 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.492 ' CE1' ' HD2' ' A' ' 34' ' ' ARG . 40.0 m-85 -111.25 -59.81 1.92 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.166 -1.049 . . . . 1.0 108.166 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 104.773 -2.306 . . . . 1.0 104.773 179.708 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 119.462 -0.304 . . . . 1.0 110.539 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.412 ' HA ' ' H ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -16.1 132.43 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.233 0 O-C-N 125.609 1.818 . . . . 1.0 114.7 179.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.426 HG23 ' SG ' ' A' ' 35' ' ' CYS . 36.2 p -116.31 169.34 9.37 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 122.128 0.965 . . . . 1.0 110.023 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -118.6 42.34 2.78 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 112.649 -2.069 . . . . 1.0 107.055 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -113.0 165.58 12.21 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 112.54 -2.118 . . . . 1.0 106.567 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -102.51 158.02 16.51 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.064 0.853 . . . . 1.0 111.619 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 26.0 p -143.57 169.41 17.77 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.823 -1.535 . . . . 1.0 111.329 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -118.73 -43.79 2.66 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 110.974 -2.83 . . . . 1.0 103.583 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.87 169.12 18.09 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.553 -1.658 . . . . 1.0 111.054 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.4 m -75.99 -43.62 43.57 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 104.653 -2.351 . . . . 1.0 104.653 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.5 t-20 -53.39 -31.21 43.8 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 112.278 -2.237 . . . . 1.0 109.355 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -86.8 -38.09 17.19 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 113.077 -1.874 . . . . 1.0 107.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.5 t -55.25 -29.44 58.07 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 124.349 1.031 . . . . 1.0 109.114 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.429 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 37.9 m0 -59.88 -47.14 86.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 124.276 0.985 . . . . 1.0 109.16 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -57.31 -44.16 83.91 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 114.048 -1.433 . . . . 1.0 109.72 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.8 mp -59.82 -50.81 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 CA-C-N 114.491 -1.232 . . . . 1.0 107.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.1 m -56.61 -34.83 67.61 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 114.484 -1.235 . . . . 1.0 111.365 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -72.3 -34.94 68.52 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.148 -1.387 . . . . 1.0 112.028 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -95.14 0.0 53.77 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 3.3 mp -111.7 -69.06 0.89 Allowed 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 114.548 -1.206 . . . . 1.0 109.811 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -121.76 48.32 1.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.605 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.2 t30 18.66 54.62 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 116.607 2.077 . . . . 1.0 116.607 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -128.69 163.95 24.0 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 112.841 -1.981 . . . . 1.0 110.084 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.563 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 23.0 t30 -130.26 -2.48 4.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 113.343 0.868 . . . . 1.0 113.343 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -106.58 74.67 1.02 Allowed 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.938 0.875 . . . . 1.0 111.525 -179.677 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 168.19 15.85 Favored Glycine 0 N--CA 1.483 1.789 0 CA-C-N 113.649 -1.614 . . . . 1.0 111.368 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -131.65 149.84 52.35 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 114.229 -0.986 . . . . 1.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.2 t -104.56 144.96 30.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 123.741 0.651 . . . . 1.0 110.639 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 ptp -167.77 151.06 6.01 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.15 -1.426 . . . . 1.0 107.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 31.08 61.16 0.24 Allowed 'General case' 0 N--CA 1.509 2.488 0 O-C-N 124.579 1.175 . . . . 1.0 110.407 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.35 43.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 111.706 -2.497 . . . . 1.0 114.209 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 58.4 pttt -141.59 152.13 43.77 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 111.621 -2.536 . . . . 1.0 105.75 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.39 149.5 26.94 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.909 0.862 . . . . 1.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.06 138.28 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.244 -2.132 . . . . 1.0 105.244 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.426 ' SG ' HG23 ' A' ' 3' ' ' THR . 40.2 m -128.71 156.91 42.75 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -109.62 168.74 9.18 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.107 -1.071 . . . . 1.0 108.107 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.503 2.192 0 O-C-N 125.529 1.768 . . . . 1.0 115.283 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -12.46 134.58 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 116.516 2.043 . . . . 1.0 116.516 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.48 HG23 ' SG ' ' A' ' 35' ' ' CYS . 23.0 p -117.22 174.47 6.1 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.236 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -119.75 41.48 3.14 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.388 -1.733 . . . . 1.0 107.637 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.49 164.12 14.42 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 105.585 -2.006 . . . . 1.0 105.585 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 t -102.61 157.02 17.23 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 122.735 1.255 . . . . 1.0 113.624 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 23.7 p -146.81 168.26 21.86 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 111.891 -2.413 . . . . 1.0 109.435 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -115.01 -39.79 3.6 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 104.054 -2.573 . . . . 1.0 104.054 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.24 167.75 20.97 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 114.005 -1.452 . . . . 1.0 110.779 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 t -69.45 -42.59 74.72 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 105.842 -1.91 . . . . 1.0 105.842 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.2 t-20 -48.76 -36.76 17.2 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 112.785 -2.007 . . . . 1.0 111.14 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.57 -35.55 19.41 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.076 -1.42 . . . . 1.0 108.57 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -55.9 -30.15 61.13 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 124.023 0.827 . . . . 1.0 109.45 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 29.5 m0 -61.01 -47.38 86.71 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 114.743 -1.117 . . . . 1.0 108.088 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -57.97 -43.55 86.57 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 114.248 -1.342 . . . . 1.0 109.533 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -59.24 -46.36 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 107.659 -1.237 . . . . 1.0 107.659 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.11 -23.85 64.05 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 115.175 -0.921 . . . . 1.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -76.76 -28.71 55.81 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.837 0.711 . . . . 1.0 109.887 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -100.33 -5.31 27.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.641 0.588 . . . . 1.0 110.376 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.9 mp -111.35 -71.97 0.74 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 124.412 1.07 . . . . 1.0 109.559 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 15.3 m170 -108.17 40.92 1.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.695 1.247 . . . . 1.0 111.663 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 18.17 58.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.49 2.033 . . . . 1.0 116.49 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 t -143.7 163.57 32.9 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 112.365 -2.198 . . . . 1.0 108.277 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.554 ' H ' ' HE ' ' A' ' 25' ' ' ARG . 13.9 t30 -120.66 20.3 11.76 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.941 0.876 . . . . 1.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.554 ' HE ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -111.83 83.98 1.88 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 113.29 -1.777 . . . . 1.0 109.306 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.76 165.31 23.89 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 114.343 -1.298 . . . . 1.0 112.312 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -133.74 132.86 41.07 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-N 113.749 -1.225 . . . . 1.0 108.611 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.28 151.76 23.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.216 0.821 . . . . 1.0 113.216 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptm -178.35 153.58 0.75 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 124.699 1.25 . . . . 1.0 108.029 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 33.35 56.74 0.51 Allowed 'General case' 0 N--CA 1.506 2.348 0 CA-C-O 122.655 1.217 . . . . 1.0 111.325 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 37.15 42.5 0.27 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.124 -2.307 . . . . 1.0 114.03 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 57.7 pttt -142.82 151.69 41.42 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 105.057 -2.201 . . . . 1.0 105.057 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.06 152.39 31.09 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.842 0.829 . . . . 1.0 113.042 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -122.0 149.88 42.85 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 112.644 -2.071 . . . . 1.0 107.24 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.48 ' SG ' HG23 ' A' ' 3' ' ' THR . 59.6 m -131.67 165.52 23.53 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.69 0.619 . . . . 1.0 110.24 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -115.19 169.28 9.23 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.218 -0.901 . . . . 1.0 108.729 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 117.298 -1.334 . . . . 1.0 111.204 -179.846 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -7.9 128.27 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 117.316 2.339 . . . . 1.0 117.316 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.2 p -126.84 -176.96 3.85 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 112.916 -1.947 . . . . 1.0 111.517 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.89 36.41 3.32 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 112.031 -2.349 . . . . 1.0 106.772 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -100.72 151.81 21.22 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 104.993 -2.225 . . . . 1.0 104.993 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 m -102.49 153.66 19.85 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.282 2.327 . . . . 1.0 117.282 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 p -140.55 169.73 17.1 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 111.546 -2.57 . . . . 1.0 109.879 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 m -117.88 -39.39 3.11 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 111.761 -2.472 . . . . 1.0 104.731 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.59 169.78 16.79 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 124.986 1.429 . . . . 1.0 111.843 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -78.24 -44.99 24.09 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 104.474 -2.417 . . . . 1.0 104.474 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 22.5 t-20 -52.52 -32.24 39.44 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 112.134 -2.303 . . . . 1.0 109.305 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -86.45 -38.56 17.2 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 112.935 -1.939 . . . . 1.0 107.576 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.9 t -55.62 -26.27 43.25 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 124.214 0.947 . . . . 1.0 109.241 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.424 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 34.6 m0 -64.53 -51.8 61.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 124.198 0.936 . . . . 1.0 108.66 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.7 t -53.87 -45.66 71.08 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 114.442 -1.254 . . . . 1.0 108.803 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.6 mp -60.43 -43.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 CA-C-N 112.982 -1.917 . . . . 1.0 108.471 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.1 m -67.1 -28.78 68.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.124 0.89 . . . . 1.0 111.747 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -72.2 -29.34 63.89 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.203 -0.908 . . . . 1.0 109.414 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -103.14 8.45 38.63 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 121.593 0.711 . . . . 1.0 111.03 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.6 mp -113.49 -71.51 0.75 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-N 113.743 -1.571 . . . . 1.0 108.978 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -126.35 49.07 2.04 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 113.072 -1.876 . . . . 1.0 110.281 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 t30 22.92 50.1 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.541 2.052 . . . . 1.0 116.541 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 p -131.6 167.08 20.04 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.915 -1.493 . . . . 1.0 111.563 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.515 ' H ' ' HD2' ' A' ' 25' ' ' ARG . 9.6 t30 -126.89 16.47 7.38 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 113.665 -1.607 . . . . 1.0 108.547 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.558 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -111.5 64.61 0.62 Allowed 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 114.402 -1.272 . . . . 1.0 112.346 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.42 155.63 19.53 Favored Glycine 0 N--CA 1.481 1.677 0 CA-C-N 114.58 -1.191 . . . . 1.0 112.536 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.49 147.63 49.16 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 112.886 -1.657 . . . . 1.0 108.659 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -107.61 145.49 33.21 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.433 1.083 . . . . 1.0 112.285 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.415 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 22.0 ptm -166.16 151.21 8.29 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.2 -1.407 . . . . 1.0 107.2 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 30.85 59.36 0.24 Allowed 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 123.217 1.484 . . . . 1.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 36.76 43.97 0.31 Allowed 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 111.684 -2.507 . . . . 1.0 114.481 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 29' ' ' MET . 61.2 pttt -144.81 149.06 34.79 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 112.837 -1.983 . . . . 1.0 106.404 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 t -112.97 145.49 40.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 123.745 0.653 . . . . 1.0 112.52 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -122.28 134.34 54.67 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 104.991 -2.226 . . . . 1.0 104.991 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 51.2 m -120.01 153.55 35.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.692 0.62 . . . . 1.0 111.089 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -116.78 -164.95 1.01 Allowed 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.523 -1.288 . . . . 1.0 107.523 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 109.057 -0.72 . . . . 1.0 109.057 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 112.562 0.578 . . . . 1.0 112.562 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.458 ' HA ' ' H ' ' A' ' 35' ' ' CYS . 86.4 t80 -18.91 141.49 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 116.754 2.131 . . . . 1.0 116.754 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.1 p -121.62 167.38 12.97 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 114.742 -1.117 . . . . 1.0 108.284 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -115.31 40.58 2.66 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 106.738 -1.579 . . . . 1.0 106.738 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -115.1 166.62 11.62 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 113.38 -1.736 . . . . 1.0 107.349 179.738 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 45.2 t -101.46 160.5 14.38 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 122.336 1.065 . . . . 1.0 112.101 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.11 169.77 17.18 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 112.364 -2.198 . . . . 1.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -115.66 -45.93 2.87 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 102.434 -3.172 . . . . 1.0 102.434 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.08 169.27 19.02 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 112.99 -1.914 . . . . 1.0 109.024 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -58.59 -42.29 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 106.457 -1.683 . . . . 1.0 106.457 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.473 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 23.1 t-20 -48.79 -38.39 21.87 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.112 -2.313 . . . . 1.0 111.388 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -84.51 -33.79 23.47 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.255 -1.339 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.6 t -57.23 -34.43 68.56 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.733 -0.84 . . . . 1.0 108.733 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.473 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 26.1 m0 -56.89 -44.19 82.07 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.193 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -58.66 -44.28 90.12 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.801 -1.545 . . . . 1.0 109.871 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.5 -48.49 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 124.57 1.169 . . . . 1.0 108.302 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.7 m -56.66 -38.5 72.27 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 113.988 -1.46 . . . . 1.0 110.602 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -73.08 -33.15 65.46 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 113.328 -1.76 . . . . 1.0 114.928 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -94.66 -0.52 54.33 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 113.293 0.849 . . . . 1.0 113.293 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -110.22 -68.8 0.9 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -125.92 55.63 1.45 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 113.817 -1.538 . . . . 1.0 113.422 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.6 t30 19.07 46.76 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.681 2.475 . . . . 1.0 117.681 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -117.14 165.37 13.48 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 114.075 -1.42 . . . . 1.0 108.927 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.506 ' H ' ' CZ ' ' A' ' 25' ' ' ARG . 18.6 t30 -131.65 -1.92 3.81 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 113.807 1.04 . . . . 1.0 113.807 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.506 ' CZ ' ' H ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -100.86 77.47 1.86 Allowed 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 113.873 1.064 . . . . 1.0 113.873 -179.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 35' ' ' CYS . . . -123.77 168.16 15.98 Favored Glycine 0 N--CA 1.484 1.868 0 CA-C-N 113.796 -1.547 . . . . 1.0 111.795 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 148.72 51.68 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 113.936 -1.132 . . . . 1.0 108.853 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.9 t -106.31 121.9 45.15 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.549 0.944 . . . . 1.0 113.549 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 39.8 mtm -137.05 135.11 37.25 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 106.633 -1.617 . . . . 1.0 106.633 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 34.67 63.95 0.43 Allowed 'General case' 0 N--CA 1.506 2.346 0 O-C-N 124.944 1.403 . . . . 1.0 109.136 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.72 46.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 111.91 -2.405 . . . . 1.0 113.648 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -137.36 148.31 46.17 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 104.568 -2.382 . . . . 1.0 104.568 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.7 t -110.76 133.51 53.28 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.956 0.884 . . . . 1.0 113.315 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -117.26 107.0 13.89 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.909 -1.886 . . . . 1.0 105.909 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' H ' ' HA ' ' A' ' 2' ' ' PHE . 57.8 m -99.47 157.5 16.39 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 123.925 0.766 . . . . 1.0 111.08 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.19 172.53 7.23 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.995 -1.457 . . . . 1.0 107.968 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.494 1.754 0 O-C-N 123.958 0.786 . . . . 1.0 108.932 -179.923 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 112.046 0.387 . . . . 1.0 112.046 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.47 ' HA ' ' H ' ' A' ' 35' ' ' CYS . 69.3 t80 -15.55 140.16 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 117.21 2.3 . . . . 1.0 117.21 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.2 p -120.67 171.68 8.41 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.517 -1.219 . . . . 1.0 109.57 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.434 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -116.73 37.42 3.79 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 113.698 -1.592 . . . . 1.0 108.638 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -114.27 165.02 13.12 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 113.525 -1.67 . . . . 1.0 107.283 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.411 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 64.9 m -100.86 161.12 13.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -140.25 169.86 16.9 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 113.348 -1.751 . . . . 1.0 111.121 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -121.66 -45.22 2.3 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 103.091 -2.929 . . . . 1.0 103.091 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.48 170.32 16.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.389 -1.732 . . . . 1.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -72.71 -44.15 62.1 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 104.804 -2.295 . . . . 1.0 104.804 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.432 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . 22.3 t-20 -52.23 -31.12 30.65 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.315 -2.22 . . . . 1.0 110.022 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -87.77 -36.18 17.45 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.184 -1.826 . . . . 1.0 108.519 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.68 -33.25 63.98 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 108.407 -0.96 . . . . 1.0 108.407 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD2' ' HA ' ' A' ' 11' ' ' ASN . 34.0 m0 -56.74 -45.11 82.16 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 114.776 -1.102 . . . . 1.0 109.285 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -56.44 -44.6 80.62 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 113.799 -1.546 . . . . 1.0 109.985 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.63 -48.61 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 124.695 1.247 . . . . 1.0 108.132 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.9 m -59.54 -32.74 70.6 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 114.228 -1.351 . . . . 1.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -79.54 -28.46 41.25 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 113.898 -1.501 . . . . 1.0 114.549 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -96.82 -1.42 46.18 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.121 0.486 . . . . 1.0 111.826 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.1 -69.63 0.85 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.213 -1.358 . . . . 1.0 107.881 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -124.87 56.52 1.31 Allowed 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 113.82 -1.536 . . . . 1.0 113.442 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 t30 17.96 46.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 117.863 2.542 . . . . 1.0 117.863 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -117.15 161.84 18.8 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 114.056 -1.429 . . . . 1.0 108.752 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -134.28 19.95 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.145 0.498 . . . . 1.0 110.242 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -116.87 70.39 0.77 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.691 1.367 . . . . 1.0 114.691 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.05 167.74 21.02 Favored Glycine 0 N--CA 1.484 1.843 0 CA-C-N 114.274 -1.33 . . . . 1.0 111.793 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -133.54 152.82 51.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 113.949 -1.125 . . . . 1.0 108.681 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.43 130.14 50.7 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.603 0.964 . . . . 1.0 113.603 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ptp -143.14 136.87 28.64 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.492 -1.67 . . . . 1.0 106.492 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 34.3 64.5 0.37 Allowed 'General case' 0 N--CA 1.508 2.442 0 O-C-N 124.513 1.133 . . . . 1.0 109.248 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.91 45.74 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 112.204 -2.271 . . . . 1.0 113.917 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -138.46 146.75 42.47 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 111.695 -2.502 . . . . 1.0 105.349 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.4 t -106.25 136.75 45.42 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.759 -0.776 . . . . 1.0 112.474 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 115.65 23.69 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 104.219 -2.511 . . . . 1.0 104.219 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.47 ' H ' ' HA ' ' A' ' 2' ' ' PHE . 35.0 m -107.34 163.04 13.37 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.758 0.661 . . . . 1.0 111.942 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -119.69 170.16 9.45 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.004 -1.453 . . . . 1.0 108.41 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 116.155 -1.879 . . . . 1.0 110.266 -179.979 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.576 -0.527 . . . . 1.0 109.576 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -22.65 139.87 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 125.533 1.77 . . . . 1.0 114.138 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.5 p -112.77 177.27 4.69 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 122.597 1.189 . . . . 1.0 109.452 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.1 29.81 7.48 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 111.461 -2.609 . . . . 1.0 111.349 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.45 147.15 37.11 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 104.959 -2.237 . . . . 1.0 104.959 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -77.42 156.08 31.38 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 117.211 2.301 . . . . 1.0 117.211 -179.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.6 155.48 38.51 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 111.798 -2.455 . . . . 1.0 108.448 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -102.61 -33.16 9.56 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 104.353 -2.462 . . . . 1.0 104.353 179.618 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.29 166.0 33.16 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 113.623 -1.626 . . . . 1.0 109.979 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.6 t -52.74 -44.15 66.23 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 123.496 1.617 . . . . 1.0 108.307 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' HA ' ' CE3' ' A' ' 14' ' ' TRP . 20.2 t-20 -47.61 -39.57 17.25 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 110.949 -2.841 . . . . 1.0 112.059 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -28.71 21.75 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 112.729 -2.032 . . . . 1.0 109.83 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -65.55 -27.72 68.65 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.495 ' CE3' ' HA ' ' A' ' 11' ' ' ASN . 36.4 m0 -60.41 -46.88 88.42 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.783 -1.098 . . . . 1.0 108.33 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -54.88 -42.14 71.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.224 -1.807 . . . . 1.0 110.677 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 mp -66.46 -47.49 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 CA-C-N 113.266 -1.788 . . . . 1.0 108.335 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 84.0 m -66.18 -21.86 66.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 124.053 0.846 . . . . 1.0 111.502 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -75.79 -36.58 59.73 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 124.191 0.932 . . . . 1.0 109.708 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 16' ' ' ILE . 12.4 ptp180 -91.81 -9.66 42.68 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 124.031 0.832 . . . . 1.0 111.537 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.6 mp -105.87 -73.58 0.68 Allowed 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 114.26 -1.336 . . . . 1.0 110.784 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 23' ' ' THR . 11.9 m-70 -112.11 43.89 1.51 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.93 -1.487 . . . . 1.0 114.545 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.645 ' H ' HD22 ' A' ' 22' ' ' ASN . 2.3 m120 21.25 55.9 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 127.584 2.354 . . . . 1.0 116.898 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 21' ' ' HIS . 2.2 p -134.74 164.62 27.14 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 110.921 -2.854 . . . . 1.0 113.497 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.531 ' H ' HH11 ' A' ' 25' ' ' ARG . 23.4 t30 -125.98 3.35 7.28 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.741 -1.572 . . . . 1.0 110.773 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.531 HH11 ' H ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -114.0 83.31 1.85 Allowed 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 113.595 -1.639 . . . . 1.0 110.718 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.53 171.1 20.82 Favored Glycine 0 C--O 1.215 -1.033 0 CA-C-N 112.585 -2.098 . . . . 1.0 112.482 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.2 130.93 48.76 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-N 113.236 -1.482 . . . . 1.0 111.436 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -99.82 151.21 21.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.433 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 14.3 ptm 176.46 152.72 0.18 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 124.415 1.072 . . . . 1.0 108.688 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m120 36.36 55.82 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 CA-C-O 122.936 1.35 . . . . 1.0 110.155 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 36.83 44.74 0.37 Allowed 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 111.646 -2.525 . . . . 1.0 114.605 -179.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 29' ' ' MET . 22.1 ptmt -149.74 153.26 36.61 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 111.323 -2.671 . . . . 1.0 106.057 179.455 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 31.3 t -106.7 157.79 17.45 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 116.058 1.873 . . . . 1.0 116.058 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.87 144.34 50.71 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 113.313 -1.767 . . . . 1.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.7 m -126.56 156.09 41.38 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 179.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -100.46 -45.45 5.55 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 112.386 0.513 . . . . 1.0 112.386 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.498 1.956 0 N-CA-C 108.844 -0.799 . . . . 1.0 108.844 179.792 . . . . . . . . 0 0 . 1 stop_ save_