data_2p0x_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 2p0x _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.895 0.379 . . . . 0.0 110.601 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.676 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.6 p-10 -33.98 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -141.21 157.74 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.204 0.526 . . . . 0.0 111.04 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.2 tpp85 -141.08 165.3 27.93 Favored 'General case' 2 C--O 1.094 -7.096 0 O-C-N 119.645 -1.91 . . . . 0.0 109.826 179.714 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.2 t -111.95 125.43 69.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 118.095 -2.878 . . . . 0.0 110.645 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.772 ' HZ2' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -118.79 98.2 6.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -179.367 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.505 ' C ' ' H ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER 27.45 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.283 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 67.36 -13.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.927 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.505 ' H ' ' C ' ' A' ' 22' ' ' ASN . 5.3 m-70 -109.46 155.89 20.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.828 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 4.2 mm? -109.94 132.46 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.458 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.772 ' NH2' ' HZ2' ' A' ' 21' ' ' LYS . 1.2 ttp180 -113.49 125.88 54.7 Favored 'General case' 1 C--O 1.098 -6.905 0 CA-C-O 124.418 2.056 . . . . 0.0 111.087 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.1 mp -109.41 164.1 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 120.135 -1.603 . . . . 0.0 109.36 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 49.7 m-85 -120.69 160.36 23.47 Favored 'General case' 1 C--N 1.209 -5.534 0 O-C-N 120.77 -1.206 . . . . 0.0 110.286 -179.482 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.485 ' ND2' ' SD ' ' A' ' 30' ' ' MET . 31.8 t30 -85.87 -14.4 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.751 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.57 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 3.2 mpp? -140.25 138.04 34.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.611 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.747 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.7 m -56.96 171.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -57.12 -42.43 80.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.0 m -65.15 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.747 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.5 p -56.5 -28.97 61.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.179 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 11.0 t80 -59.85 -50.46 73.7 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.3 m-80 -65.24 -40.57 94.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -66.68 -34.14 77.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.49 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.2 p -57.49 -30.73 65.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.8 mm -66.26 -33.58 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -78.55 -69.82 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.554 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -68.4 -52.61 31.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.024 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.602 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.66 -48.98 62.44 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.665 ' N ' ' O ' ' A' ' 38' ' ' SER . 44.4 t0 . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 120.907 0.384 . . . . 0.0 110.266 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.62 ' H ' ' HD1' ' A' ' 47' ' ' HIS . 20.0 p-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.718 0.294 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.89 152.24 21.34 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.82 ' H ' ' HD1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -141.16 160.44 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.689 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.423 ' CG2' ' HG2' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -123.57 131.5 72.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 116.657 -3.777 . . . . 0.0 110.639 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -111.6 132.16 54.75 Favored 'General case' 1 C--N 1.212 -5.377 0 O-C-N 119.527 -1.983 . . . . 0.0 110.403 178.938 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.407 ' CZ2' ' OD2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -109.41 134.32 51.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.665 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.625 ' C ' ' H ' ' A' ' 55' ' ' TYR . 6.7 mp -108.45 159.86 16.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.434 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 6.5 ptt? -71.15 34.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.625 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -169.89 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.649 -179.148 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.51 162.05 36.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.094 0.474 . . . . 0.0 111.504 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD2' ' CZ2' ' A' ' 52' ' ' TRP . 9.9 t0 -109.27 149.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.538 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.9 159.84 41.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.641 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.423 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 14.8 mtpp -129.44 141.2 51.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.01 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.685 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 4.3 pt-20 . . . . . 0 C--N 1.326 -0.451 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.296 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.933 0.397 . . . . 0.0 110.343 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 16' ' ' ARG . 5.8 m-20 -32.17 131.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.538 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 4.1 p-90 -140.24 157.54 45.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.0 ttp85 -140.85 160.54 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.001 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.419 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.4 p -108.98 134.31 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.545 ' CG ' HD21 ' A' ' 22' ' ' ASN . 0.5 OUTLIER -138.89 125.38 20.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.906 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.573 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 3.6 p30 39.15 -114.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.912 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 5.7 mtp180 -104.12 10.48 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.671 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 1.2 m-70 -120.3 156.87 30.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.201 0.524 . . . . 0.0 111.12 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 25' ' ' LEU . 4.2 mm? -109.38 134.38 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.584 ' NH2' ' NE2' ' A' ' 49' ' ' HIS . 22.8 ttt180 -109.3 117.57 34.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.366 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -109.31 154.21 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.512 179.244 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' N ' HG23 ' A' ' 27' ' ' ILE . 46.3 m-85 -111.61 160.32 17.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.454 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.465 ' C ' ' CG ' ' A' ' 30' ' ' MET . 43.4 t30 -75.31 -13.66 60.44 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.806 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.465 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 5.5 mtm -154.29 160.22 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.643 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 1.8 m -66.29 177.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.376 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' CB ' ' OD2' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -65.44 -33.71 76.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.021 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 m -66.71 -70.78 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.173 0.511 . . . . 0.0 110.087 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.643 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -44.81 -28.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.309 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD2' ' ND2' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -61.51 -48.04 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.533 ' ND2' ' CD2' ' A' ' 35' ' ' PHE . 2.2 m-80 -65.98 -41.98 90.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.304 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.56 -29.58 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.029 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 p -63.97 -28.67 69.97 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.44 -30.01 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -69.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.473 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.6 m -70.1 -50.93 35.86 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.101 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.624 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.7 -44.63 92.09 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.171 -178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.8 t0 . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.863 0.363 . . . . 0.0 110.795 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.976 0.417 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.24 126.48 0.85 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.692 ' ND1' ' OE1' ' A' ' 60' ' ' GLU . 43.8 p-80 -138.99 150.15 45.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.257 0.551 . . . . 0.0 110.261 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.417 ' CG2' ' HG2' ' A' ' 59' ' ' LYS . 0.9 OUTLIER -109.92 146.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.706 -179.53 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 m-20 -133.95 137.82 45.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.891 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -114.16 141.34 47.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.153 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.743 ' O ' ' N ' ' A' ' 55' ' ' TYR . 2.6 mm? -109.54 77.32 1.05 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.664 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ptt? 28.21 25.74 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.921 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.743 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 174.48 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.303 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.687 ' OG1' ' CZ ' ' A' ' 55' ' ' TYR . 1.2 m -109.33 155.35 21.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.925 0.393 . . . . 0.0 110.608 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.475 ' N ' ' CG2' ' A' ' 56' ' ' THR . 10.4 p-10 -114.07 139.73 49.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.35 156.01 34.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.28 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.417 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 66.6 mttt -140.68 135.67 31.87 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.645 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.692 ' OE1' ' ND1' ' A' ' 49' ' ' HIS . 1.5 tm-20 . . . . . 0 C--N 1.324 -0.518 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.363 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.762 0.315 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' ARG . 44.6 t0 -37.36 143.21 0.1 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.985 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.52 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 4.6 p90 -140.47 159.79 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.235 0.541 . . . . 0.0 110.941 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.659 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 0.3 OUTLIER -142.44 159.42 42.27 Favored 'General case' 1 C--O 1.07 -8.345 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.051 -178.858 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.462 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.9 t -107.24 132.64 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 110.398 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.708 ' NZ ' ' NH1' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -130.66 118.56 21.13 Favored 'General case' 1 C--O 1.137 -4.843 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.298 -179.261 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.588 ' C ' ' H ' ' A' ' 24' ' ' HIS . 2.5 m-20 22.55 88.14 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 126.611 2.444 . . . . 0.0 111.943 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' A' ' 23' ' ' ARG . 0.1 OUTLIER 57.97 -4.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.647 178.763 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.588 ' H ' ' C ' ' A' ' 22' ' ' ASN . 3.8 m170 -109.74 154.14 23.34 Favored 'General case' 1 C--O 1.078 -7.927 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.745 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mt -110.06 122.13 46.88 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 124.082 0.864 . . . . 0.0 109.433 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.708 ' NH1' ' NZ ' ' A' ' 21' ' ' LYS . 13.7 ttp-105 -102.06 123.67 46.34 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 125.975 2.047 . . . . 0.0 110.46 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.545 HG22 ' N ' ' A' ' 28' ' ' TYR . 1.0 OUTLIER -108.07 163.19 5.83 Favored 'Isoleucine or valine' 1 C--N 1.445 4.749 0 O-C-N 119.815 -1.803 . . . . 0.0 109.448 179.704 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.596 ' HH ' HH21 ' A' ' 19' ' ' ARG . 55.1 m-85 -124.17 159.51 29.9 Favored 'General case' 1 C--N 1.441 4.582 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.821 -179.178 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -81.91 -8.1 59.65 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 128.835 3.834 . . . . 0.0 110.973 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtm -147.59 148.47 31.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 111.356 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.9 m -65.86 169.34 6.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.4 tttp -54.53 -41.53 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.401 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.481 ' H ' ' HG1' ' A' ' 33' ' ' THR . 0.2 OUTLIER -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.344 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -55.1 -27.75 47.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 8.7 t80 -57.67 -47.13 83.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.19 -40.65 90.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.8 t30 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.124 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.649 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -56.65 -28.89 61.57 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.64 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -65.26 -29.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.39 -70.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.351 178.339 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.9 m -68.33 -52.12 36.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.006 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.621 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.4 -49.02 63.11 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 38' ' ' SER . 36.8 t0 . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.894 0.378 . . . . 0.0 111.015 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 6.1 p-80 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.899 0.381 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.43 144.24 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.635 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 2.7 p-80 -140.45 154.34 46.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.434 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 t -111.48 133.87 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.405 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.619 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -116.57 132.71 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.918 0.39 . . . . 0.0 110.574 179.532 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 140.52 45.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.741 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 7.5 mp -110.75 169.98 8.4 Favored 'General case' 1 C--N 1.156 -7.833 0 O-C-N 116.795 -3.69 . . . . 0.0 110.406 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 ptm -67.31 2.74 1.5 Allowed 'General case' 0 C--N 1.27 -2.884 0 O-C-N 119.665 -1.897 . . . . 0.0 110.702 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 55' ' ' TYR . 4.8 p90 -174.16 7.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.724 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.56 164.95 28.78 Favored 'General case' 1 C--N 1.22 -5.044 1 O-C-N 114.635 -5.041 . . . . 0.0 110.626 -179.855 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -134.96 132.15 38.05 Favored 'General case' 1 C--N 1.242 -4.085 1 O-C-N 114.592 -5.067 . . . . 0.0 110.573 -179.714 . . . . . . . . 5 4 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.26 160.01 23.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.541 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -140.46 139.96 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.996 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.635 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' ASP . 10.6 mtp180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.612 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 31.1 m-20 -25.44 134.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.654 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -140.29 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.557 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.515 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 4.3 ttp85 -141.02 161.28 38.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.669 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.47 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.75 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.104 179.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.0 ttmt -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' LYS . 5.1 m120 35.08 -108.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.07 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.651 ' C ' ' HD1' ' A' ' 24' ' ' HIS . 6.7 tpp180 -118.87 6.71 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.042 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.678 ' CG ' HD22 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -109.44 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 9.9 mp -109.17 133.28 53.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -107.06 121.38 44.37 Favored 'General case' 0 C--N 1.409 3.191 0 O-C-N 127.694 3.121 . . . . 0.0 111.152 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.7 mt -109.13 160.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.395 2.566 0 O-C-N 119.101 -2.249 . . . . 0.0 109.178 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 53.8 m-85 -120.75 157.85 28.78 Favored 'General case' 1 C--N 1.206 -5.647 0 O-C-N 119.486 -2.009 . . . . 0.0 110.707 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.649 ' O ' ' SD ' ' A' ' 30' ' ' MET . 26.2 m-20 -77.66 -19.14 55.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.021 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.649 ' SD ' ' O ' ' A' ' 29' ' ' ASN . 3.3 mpp? -139.05 147.2 41.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.888 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 4.0 m -65.29 169.44 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.94 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.612 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 8.2 tttt -52.83 -46.25 67.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.6 m -65.15 -69.74 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -51.04 -28.19 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.461 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.403 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 28.5 t80 -59.22 -49.22 78.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.4 m-80 -66.02 -41.45 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -66.81 -35.38 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.67 179.168 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.677 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -52.95 -31.19 39.11 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 mt -66.18 -30.34 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.4 mttt -78.95 -70.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.46 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -67.9 -52.61 34.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.717 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.587 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.82 -50.7 51.74 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 38' ' ' SER . 62.2 t0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.096 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.73 137.07 3.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.815 ' H ' ' HD1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -140.25 159.66 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 110.863 -179.789 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.75 134.96 50.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 O-C-N 116.357 -3.964 . . . . 0.0 110.672 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -117.05 131.97 56.8 Favored 'General case' 1 C--N 1.198 -6.021 0 O-C-N 118.542 -2.599 . . . . 0.0 109.966 178.872 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 146.15 35.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.678 HD22 ' CG ' ' A' ' 24' ' ' HIS . 1.8 mm? -110.33 169.95 8.4 Favored 'General case' 1 C--N 1.163 -7.5 0 O-C-N 117.643 -3.161 . . . . 0.0 109.534 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 13.4 ptt? -79.2 27.14 0.25 Allowed 'General case' 0 C--N 1.274 -2.716 0 O-C-N 120.153 -1.592 . . . . 0.0 109.423 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.504 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -178.14 -20.37 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.245 -179.209 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.09 163.01 31.82 Favored 'General case' 0 C--N 1.247 -3.849 1 O-C-N 114.862 -4.899 . . . . 0.0 112.078 -179.225 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -112.73 143.71 43.48 Favored 'General case' 0 C--N 1.25 -3.725 1 O-C-N 114.759 -4.963 . . . . 0.0 109.505 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -138.66 159.69 41.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.616 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -136.27 148.61 48.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.259 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 51' ' ' ASP . 1.3 pt-20 . . . . . 0 C--N 1.246 -3.906 0 O-C-N 121.353 -0.842 . . . . 0.0 110.738 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.648 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 4.4 mtp180 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.827 0.346 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.604 ' OD1' ' N ' ' A' ' 18' ' ' TRP . 52.1 t0 -32.74 143.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.073 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.604 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 17.8 p90 -140.09 158.62 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.067 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.668 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 4.1 ttp85 -140.87 162.95 34.25 Favored 'General case' 1 C--O 1.09 -7.339 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.178 -179.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.516 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 52.8 t -108.5 119.91 58.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 O-C-N 123.856 0.722 . . . . 0.0 110.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -109.01 93.78 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 6.1 t30 9.5 94.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.644 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 2.2 tpt180 95.57 -40.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.443 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.541 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 3.7 m-70 -109.48 159.2 17.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 6.9 mp -109.37 134.95 51.19 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.72 ' NH1' ' CD2' ' A' ' 49' ' ' HIS . 10.2 ttm-85 -110.71 123.2 49.57 Favored 'General case' 1 C--O 1.081 -7.806 0 CA-C-O 125.156 2.408 . . . . 0.0 111.519 -178.531 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.3 mp -110.03 154.5 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 119.603 -1.936 . . . . 0.0 108.79 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.668 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 33.3 m-85 -109.83 160.77 16.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.802 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.34 -6.52 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -147.9 142.11 26.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.729 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.9 m -58.86 172.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.056 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.674 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttt -60.22 -40.64 90.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.732 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -63.99 -68.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.043 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.729 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.2 p -54.55 -28.27 44.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.573 ' O ' ' OG ' ' A' ' 38' ' ' SER . 12.6 t80 -60.43 -47.23 86.99 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.674 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -65.43 -42.2 92.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.944 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -33.82 76.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.532 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.647 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.8 p -59.67 -29.06 67.8 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.001 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.409 HD11 ' HE2' ' A' ' 47' ' ' HIS . 10.7 mm -65.1 -29.88 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -70.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.123 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -68.99 -51.98 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.063 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.57 -45.96 87.08 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 38' ' ' SER . 59.2 t0 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.409 ' HE2' HD11 ' A' ' 39' ' ' ILE . 3.8 m170 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.786 0.326 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.12 154.44 25.53 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.72 ' CD2' ' NH1' ' A' ' 26' ' ' ARG . 14.9 p-80 -140.27 155.61 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.19 124.28 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.176 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 6.4 m-20 -112.16 133.9 54.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.394 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -109.49 137.91 46.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.788 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.618 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -107.89 160.48 15.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.076 -179.543 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' MET . 2.3 ptt? -71.03 32.31 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.776 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.618 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -177.34 -31.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.425 -179.293 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.495 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 6.9 m -140.01 160.47 39.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.727 0.299 . . . . 0.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.33 145.66 37.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.86 156.07 35.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -140.55 138.98 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 4.0 tt0 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.827 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 17' ' ' ASP . 12.0 mtt180 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.559 ' C ' ' O ' ' A' ' 16' ' ' ARG . 18.5 t70 -25.9 136.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.985 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 15.2 p90 -140.26 157.91 44.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 111.217 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.497 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.5 ttp85 -141.13 160.74 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.91 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.497 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 7.3 p -108.56 127.99 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.003 0.43 . . . . 0.0 110.462 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.633 ' HZ1' ' NH1' ' A' ' 26' ' ' ARG . 18.7 ttmt -133.97 101.7 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 61.76 -132.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -0.93 55.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.646 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 2.7 m170 -112.73 156.56 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.437 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 2.8 mt -112.51 141.42 46.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.633 ' NH1' ' HZ1' ' A' ' 21' ' ' LYS . 4.3 ttt180 -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.441 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -109.75 156.38 10.6 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.655 0 O-C-N 116.817 -3.677 . . . . 0.0 109.163 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.44 ' N ' HG21 ' A' ' 27' ' ' ILE . 35.2 m-85 -114.63 160.62 19.1 Favored 'General case' 1 C--N 1.214 -5.287 0 O-C-N 118.278 -2.764 . . . . 0.0 110.783 -179.211 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.584 HD21 ' C ' ' A' ' 48' ' ' GLY . 29.6 m-80 -76.54 -12.4 60.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.045 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.444 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 4.1 mtm -151.97 154.12 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.126 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.752 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 7.6 m -66.0 176.0 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.192 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.619 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 4.2 tttm -64.6 -40.27 95.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 110.149 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -67.84 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.752 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -54.06 -28.29 37.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.298 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' O ' ' OG ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -60.53 -51.41 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.593 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -66.25 -40.42 90.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -65.73 -36.67 84.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.862 179.228 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.645 ' N ' ' O ' ' A' ' 34' ' ' CYS . 59.7 p -55.68 -29.96 60.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.9 mm -65.79 -30.97 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.84 -69.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.179 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 m -68.03 -52.35 36.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.05 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.4 -48.18 71.56 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.2 t70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.869 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.2 m170 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.768 0.318 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.584 ' C ' HD21 ' A' ' 29' ' ' ASN . . . 135.73 137.65 3.73 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.671 ' CE1' ' CD ' ' A' ' 60' ' ' GLU . 41.8 p-80 -141.46 159.5 42.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.278 0.561 . . . . 0.0 111.205 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.453 HG23 ' CG ' ' A' ' 59' ' ' LYS . 1.4 t -116.98 148.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 O-C-N 116.369 -3.957 . . . . 0.0 110.396 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 1.7 m-20 -127.31 142.3 51.49 Favored 'General case' 1 C--N 1.212 -5.382 0 O-C-N 117.993 -2.942 . . . . 0.0 110.693 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -111.87 138.77 48.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.646 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -112.08 155.76 23.34 Favored 'General case' 1 C--N 1.162 -7.562 0 O-C-N 118.744 -2.473 . . . . 0.0 110.159 -179.665 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.4 ' N ' HD23 ' A' ' 53' ' ' LEU . 5.7 ptt? -53.59 -6.76 0.08 Allowed 'General case' 0 C--N 1.255 -3.519 0 O-C-N 120.387 -1.446 . . . . 0.0 111.043 -178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -166.76 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.687 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -137.57 163.13 31.94 Favored 'General case' 0 C--N 1.254 -3.565 1 O-C-N 115.213 -4.679 . . . . 0.0 111.264 179.542 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.83 130.53 47.06 Favored 'General case' 1 C--N 1.244 -4.01 1 O-C-N 115.486 -4.509 . . . . 0.0 110.156 179.262 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.06 153.69 37.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' HE3' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -140.03 141.75 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.482 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.671 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 1.2 pp20? . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.403 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.711 0.291 . . . . 0.0 110.451 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' ARG . 7.6 t70 -34.82 143.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.64 155.44 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.652 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -141.42 160.51 39.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.471 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 79.9 t -108.87 118.67 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.08 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -125.51 100.66 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.762 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 59.68 -134.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.19 -1.48 40.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.786 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -115.7 160.25 20.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.114 0.483 . . . . 0.0 111.313 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 25' ' ' LEU . 8.3 mp -109.01 161.14 15.44 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 5.4 ttt180 -133.21 119.44 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.123 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.25 146.21 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.605 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.652 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 m-30 -109.3 147.82 32.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.548 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -70.82 -21.03 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.46 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.0 mtm -131.5 147.19 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.779 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 2.3 m -65.01 169.06 5.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -53.24 -41.12 65.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -64.1 -65.94 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.779 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.1 p -60.12 -27.26 66.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' O ' ' OG ' ' A' ' 38' ' ' SER . 4.8 t80 -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.15 -42.34 89.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.1 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -31.49 72.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.832 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 34' ' ' CYS . 27.3 p -60.19 -29.81 68.94 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.99 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -78.55 -70.48 0.49 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.295 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.6 m -68.27 -52.28 35.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.612 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.33 -46.15 87.81 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 38' ' ' SER . 4.2 t0 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.066 0.46 . . . . 0.0 110.391 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.43 ' H ' ' HD1' ' A' ' 47' ' ' HIS . 19.8 p-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.724 0.297 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 125.79 142.63 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.785 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 3.4 p-80 -133.65 159.25 41.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.82 148.48 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.468 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -133.65 139.09 46.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.477 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 6.7 m95 -112.88 143.32 44.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.964 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 55' ' ' TYR . 4.1 mt -109.7 77.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.5 ptt? 37.69 9.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.104 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.741 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER 178.16 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.346 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.712 ' OG1' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -109.33 160.07 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.941 0.401 . . . . 0.0 110.903 -179.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -111.2 136.74 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -126.6 160.46 30.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -136.49 139.48 42.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.7 tt0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.805 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' O ' ' C ' ' A' ' 17' ' ' ASP . 6.6 mtt180 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 16' ' ' ARG . 3.7 m-20 -29.62 135.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.278 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -140.23 160.75 39.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.286 0.565 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.749 ' NH2' ' HH ' ' A' ' 28' ' ' TYR . 1.6 ttp85 -139.58 159.75 41.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.153 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.47 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.9 113.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.971 0.415 . . . . 0.0 110.103 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.657 ' NZ ' ' NH2' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -109.18 118.99 38.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.016 -179.22 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 42.63 -90.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.241 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 8.0 mtt-85 -123.78 1.04 8.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.651 0.262 . . . . 0.0 111.424 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.46 ' CG ' ' HG ' ' A' ' 53' ' ' LEU . 2.1 m170 -109.72 159.07 17.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 25' ' ' LEU . 6.5 mp -109.12 129.79 55.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.657 ' NH2' ' NZ ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -109.15 128.74 55.27 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.326 -178.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -109.33 160.36 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.138 179.019 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.749 ' HH ' ' NH2' ' A' ' 19' ' ' ARG . 48.3 m-85 -123.03 121.0 35.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.226 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.661 HD21 ' C ' ' A' ' 48' ' ' GLY . 5.5 m-80 -48.96 -8.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.463 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.629 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 5.1 mpp? -155.54 138.83 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.691 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 10.3 m -63.79 172.28 2.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.206 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -54.21 -42.97 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.649 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -65.75 -70.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.747 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.4 p -55.32 -27.0 44.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' O ' ' OG ' ' A' ' 38' ' ' SER . 24.4 t80 -56.98 -49.77 74.71 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.62 -42.58 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.156 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -67.07 -35.2 79.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.555 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 34' ' ' CYS . 90.7 p -56.93 -29.23 62.94 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.6 mt -65.43 -32.4 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -79.28 -68.43 0.66 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.227 -1.351 . . . . 0.0 109.465 178.16 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -67.63 -51.8 45.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.017 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.617 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -63.67 -49.63 67.51 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 38' ' ' SER . 33.4 t70 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.401 -0.399 . . . . 0.0 111.437 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.693 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.943 0.401 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.661 ' C ' HD21 ' A' ' 29' ' ' ASN . . . 149.61 125.24 1.35 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.871 ' H ' ' HD1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -141.37 160.49 40.01 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.183 0.516 . . . . 0.0 111.242 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.81 135.42 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.618 ' OD1' ' CD ' ' A' ' 26' ' ' ARG . 4.8 m-20 -124.01 127.86 48.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.018 0.437 . . . . 0.0 110.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -109.83 130.08 55.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.553 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.623 ' C ' ' H ' ' A' ' 55' ' ' TYR . 5.5 mp -107.97 160.65 15.61 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.224 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.8 ptm -71.92 22.94 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.623 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -166.89 -25.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.78 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' A' ' 53' ' ' LEU . 5.6 p -137.09 160.83 37.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.368 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 23.9 p30 -115.87 131.95 56.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.174 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.23 142.34 46.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.811 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -140.57 136.23 32.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 4.2 tt0 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 121.263 0.554 . . . . 0.0 109.635 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.77 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 8.0 mtp180 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 16' ' ' ARG . 6.9 t70 -32.17 143.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 p90 -140.68 159.71 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.187 0.518 . . . . 0.0 111.501 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.504 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -142.83 158.91 43.16 Favored 'General case' 1 C--N 1.429 4.064 0 O-C-N 116.791 -3.693 . . . . 0.0 110.164 179.907 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -105.95 124.25 61.02 Favored 'Isoleucine or valine' 1 C--N 1.139 -8.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.124 -179.963 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.677 ' O ' ' N ' ' A' ' 24' ' ' HIS . 18.6 ttmt -136.2 139.97 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.543 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.694 ' C ' ' H ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER 22.74 83.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.175 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 46.4 2.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.412 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.694 ' H ' ' C ' ' A' ' 22' ' ' ASN . 2.9 m-70 -113.25 157.83 21.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.947 0.404 . . . . 0.0 110.805 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 4.0 mm? -109.09 117.92 35.43 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.483 ' HG3' ' CG ' ' A' ' 51' ' ' ASP . 2.5 ttp85 -95.25 122.52 38.03 Favored 'General case' 1 C--N 1.167 -7.329 0 O-C-N 117.673 -3.142 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -108.27 165.06 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 3 O-C-N 110.476 -7.64 . . . . 0.0 109.444 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.77 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 54.9 m-85 -119.89 159.88 23.78 Favored 'General case' 1 C--N 1.43 4.082 0 O-C-N 120.524 -1.36 . . . . 0.0 110.772 -178.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -87.43 9.77 19.67 Favored 'General case' 1 C--N 1.221 -5.013 1 O-C-N 130.18 4.675 . . . . 0.0 110.959 -179.461 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtm -162.83 142.25 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.696 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.774 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.3 m -64.22 -178.56 0.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.77 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.1 OUTLIER -65.19 -41.88 94.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.814 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -65.27 -61.82 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.53 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.4 p -60.2 -28.73 68.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 2.3 t80 -59.87 -45.17 93.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.37 -40.38 89.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.188 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.0 t30 -65.97 -36.49 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.501 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLY . 38.3 p -55.08 -30.31 59.4 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 6.4 mt -66.3 -28.92 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.2 mmmp? -78.44 -68.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.223 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.4 m -67.91 -53.02 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.88 -50.87 50.41 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' SER . 50.4 t0 . . . . . 0 C--N 1.324 -0.533 0 CA-C-O 120.881 0.372 . . . . 0.0 111.276 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.427 ' HB2' ' H ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.407 0.146 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' H ' ' HB2' ' A' ' 47' ' ' HIS . . . -136.56 174.13 21.7 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.258 -178.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.614 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.47 160.91 38.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.506 . . . . 0.0 110.058 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -114.06 130.81 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -113.37 127.79 56.25 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.472 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.544 ' CE2' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -109.69 136.24 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.864 179.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.602 ' C ' ' H ' ' A' ' 55' ' ' TYR . 4.3 mp -108.51 160.24 16.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.579 ' O ' ' SD ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -72.49 33.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.602 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -172.94 -32.83 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.33 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -140.68 162.39 35.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' OD2' ' CE2' ' A' ' 52' ' ' TRP . 24.1 t0 -109.07 145.3 35.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.122 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -126.71 157.25 39.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.799 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -140.28 138.82 35.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.594 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.992 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.913 0.387 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.642 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 11.8 m-20 -32.03 133.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 p90 -140.95 158.64 43.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.659 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -140.94 161.96 36.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.107 -179.443 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.531 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 2.4 m -108.06 114.83 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.431 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.636 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 2.1 tppt? -118.29 107.57 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.632 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 22' ' ' ASN . 1.0 OUTLIER 56.51 -110.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.651 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.38 -1.37 21.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.706 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.621 ' ND1' ' HG ' ' A' ' 53' ' ' LEU . 3.4 m-70 -109.21 156.87 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 110.99 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.647 HH11 ' CD2' ' A' ' 49' ' ' HIS . 11.6 ttm-85 -108.72 123.36 48.88 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.011 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.23 153.98 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.438 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.659 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 38.4 m-85 -113.1 150.19 32.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.494 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.33 -12.35 60.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.534 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 65.1 mtm -145.47 143.23 29.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.774 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.1 m -64.11 171.82 2.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.709 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.642 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 15.6 tttm -54.96 -47.04 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -61.88 -65.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 8.4 p -59.01 -28.24 66.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.758 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.579 ' O ' ' OG ' ' A' ' 38' ' ' SER . 8.5 t80 -58.4 -49.39 77.45 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.09 -43.23 87.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.377 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.4 -31.17 71.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.123 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.745 ' HG ' ' CE1' ' A' ' 47' ' ' HIS . 79.8 p -64.76 -29.73 70.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.258 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mt -65.97 -34.09 67.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -66.84 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.115 -1.402 . . . . 0.0 109.652 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 m -67.82 -51.76 44.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.27 -52.95 35.96 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 38' ' ' SER . 67.9 t0 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.528 -0.336 . . . . 0.0 111.395 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.745 ' CE1' ' HG ' ' A' ' 38' ' ' SER . 10.1 m80 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.487 0.184 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -151.88 158.16 27.63 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.04 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.647 ' CD2' HH11 ' A' ' 26' ' ' ARG . 11.3 p-80 -133.43 161.47 34.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.345 -0.428 . . . . 0.0 110.774 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.44 136.53 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -118.48 144.92 45.66 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 143.97 44.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -112.67 66.94 0.65 Allowed 'General case' 1 C--N 1.241 -4.114 2 O-C-N 112.447 -6.408 . . . . 0.0 110.873 -179.746 . . . . . . . . 5 4 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.651 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER 33.72 38.12 0.02 OUTLIER 'General case' 1 C--N 1.201 -5.891 0 O-C-N 119.828 -1.795 . . . . 0.0 110.359 177.783 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.651 ' CD1' ' O ' ' A' ' 54' ' ' MET . 0.8 OUTLIER 155.02 -37.6 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 O-C-N 124.062 0.852 . . . . 0.0 111.181 -179.701 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 57' ' ' ASP . 2.9 m -106.75 164.41 12.12 Favored 'General case' 0 C--N 1.272 -2.801 2 O-C-N 112.178 -6.577 . . . . 0.0 110.966 -179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 2.9 t70 -119.32 144.86 46.6 Favored 'General case' 1 C--N 1.146 -8.269 0 O-C-N 116.934 -3.604 . . . . 0.0 110.655 -179.471 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.49 160.66 38.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.463 ' NZ ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -135.82 144.44 45.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' HG3' ' NE2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.209 0.528 . . . . 0.0 110.372 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.692 ' OD2' ' CD2' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -16.59 135.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.044 -179.145 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -139.89 160.27 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.247 0.546 . . . . 0.0 111.371 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.491 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 3.4 ttp85 -140.81 161.72 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.153 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.491 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.5 p -107.55 130.07 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -137.11 90.13 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.993 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 40.6 t-20 66.99 -130.12 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.75 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 27.7 mtm180 -87.36 -2.71 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.013 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 7.5 m-70 -108.93 160.6 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.138 0.494 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.5 mp -108.14 161.28 15.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.81 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -138.31 123.72 19.47 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.497 -179.447 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.485 ' O ' ' CB ' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -111.49 165.26 6.73 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.838 0 O-C-N 117.086 -3.508 . . . . 0.0 110.141 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.692 ' CD2' ' OD2' ' A' ' 17' ' ' ASP . 2.7 m-30 -115.03 121.1 42.07 Favored 'General case' 1 C--N 1.211 -5.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.013 179.537 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.442 ' C ' ' CG ' ' A' ' 30' ' ' MET . 18.0 m-20 -38.91 -15.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.424 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.673 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -154.91 146.05 22.77 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.531 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.61 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.9 m -66.06 165.27 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.453 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -55.21 -38.69 68.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.229 179.22 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -67.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.534 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.624 ' O ' ' N ' ' A' ' 38' ' ' SER . 6.0 p -63.09 -27.91 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.61 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 19.9 t80 -57.49 -47.3 82.28 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.7 m-80 -65.41 -42.05 92.96 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.784 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.83 74.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.771 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 34' ' ' CYS . 12.6 p -61.38 -29.76 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.356 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.5 mm -66.45 -29.71 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -69.94 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.38 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 m -68.58 -52.69 28.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.978 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.71 -50.99 50.72 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' SER . 12.1 t70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.754 0.311 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.2 m80 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.867 0.365 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.12 170.99 42.3 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.81 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -140.76 159.07 42.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.408 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.496 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -119.28 140.7 42.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 116.466 -3.896 . . . . 0.0 110.164 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.592 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -125.38 140.83 52.46 Favored 'General case' 1 C--N 1.206 -5.635 0 O-C-N 119.061 -2.274 . . . . 0.0 111.27 -179.872 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 144.48 37.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.331 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 24' ' ' HIS . 1.1 tp -112.92 169.52 8.86 Favored 'General case' 1 C--N 1.169 -7.255 0 O-C-N 118.738 -2.476 . . . . 0.0 110.783 -178.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -60.95 -1.07 0.37 Allowed 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.971 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.499 ' H ' ' C ' ' A' ' 53' ' ' LEU . 1.7 p90 -176.23 0.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.195 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.491 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -135.16 160.04 39.64 Favored 'General case' 0 C--N 1.277 -2.546 1 O-C-N 115.393 -4.567 . . . . 0.0 110.895 179.386 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.25 147.36 35.19 Favored 'General case' 0 C--N 1.249 -3.767 1 O-C-N 115.122 -4.736 . . . . 0.0 110.079 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.5 154.41 47.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.923 0.392 . . . . 0.0 110.819 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.487 ' HZ3' HG21 ' A' ' 50' ' ' VAL . 24.7 mttp -140.45 139.18 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.855 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 14.6 tt0 . . . . . 0 C--N 1.323 -0.582 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.509 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.593 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.132 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -16.61 119.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.716 -179.38 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.531 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -140.99 157.94 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.471 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.535 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.7 ttp85 -141.64 161.81 37.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.535 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -106.74 125.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 109.935 -179.701 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 24' ' ' HIS . 5.5 ttmt -128.35 161.2 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.128 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.723 ' C ' ' H ' ' A' ' 24' ' ' HIS . 2.0 m120 -10.47 91.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.449 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 7.6 mtm105 46.64 1.35 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.452 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.723 ' H ' ' C ' ' A' ' 22' ' ' ASN . 6.6 m170 -109.92 162.01 14.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.277 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mp -106.8 160.1 15.74 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.687 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 19.4 ttt85 -136.44 117.03 13.87 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.03 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.57 156.41 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.543 ' O ' ' N ' ' A' ' 30' ' ' MET . 4.9 m-30 -108.44 129.93 55.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.486 ' C ' ' CG ' ' A' ' 30' ' ' MET . 1.3 m-80 -42.74 -17.1 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.566 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -157.43 149.74 22.74 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.356 -0.537 . . . . 0.0 111.267 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.6 m -66.46 172.74 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.449 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 7.5 ttpt -58.07 -45.41 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.703 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.477 ' H ' ' HG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -64.97 -67.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -52.8 -27.85 19.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.253 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.579 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -61.62 -45.12 95.41 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.4 m-80 -64.05 -39.65 94.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.737 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.26 -30.39 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.446 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 43' ' ' ASP . 4.9 p -65.03 -29.59 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.021 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.8 mt -66.37 -29.78 47.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -70.75 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.359 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -68.78 -52.68 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.854 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.609 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.42 -48.5 68.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 38' ' ' SER . 5.4 t70 . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 0.0 110.501 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.597 ' ND1' ' N ' ' A' ' 47' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.484 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.8 162.16 34.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.687 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 1.7 p-80 -139.96 160.28 40.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 0.0 110.742 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.484 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -117.56 142.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.009 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -126.97 135.31 50.7 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.023 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.78 139.59 44.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.83 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 55' ' ' TYR . 6.9 mp -112.88 162.24 16.05 Favored 'General case' 1 C--N 1.175 -7.017 0 O-C-N 117.525 -3.234 . . . . 0.0 110.416 -179.706 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -10.29 0.12 Allowed 'General case' 0 C--N 1.247 -3.881 0 O-C-N 120.887 -1.133 . . . . 0.0 110.701 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -169.97 11.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.116 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.65 33.85 Favored 'General case' 0 C--N 1.266 -3.034 1 O-C-N 114.409 -5.182 . . . . 0.0 111.02 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -133.12 129.11 37.48 Favored 'General case' 1 C--N 1.221 -5.021 1 O-C-N 115.536 -4.477 . . . . 0.0 110.214 179.443 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.55 160.29 32.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.33 144.08 49.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.386 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.45 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' CE3' ' A' ' 18' ' ' TRP . 1.5 tmm_? . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.604 0.24 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -71.79 105.65 3.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.364 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.595 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 2.4 p90 -141.72 161.53 37.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.508 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.469 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 5.8 ttp85 -140.69 162.2 35.95 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 116.403 -3.936 . . . . 0.0 110.151 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.469 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 43.4 t -110.11 115.6 50.14 Favored 'Isoleucine or valine' 1 C--N 1.216 -5.217 0 O-C-N 118.191 -2.818 . . . . 0.0 110.788 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 24' ' ' HIS . 20.1 ttmt -119.64 119.07 32.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 47.82 -134.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.287 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 3.24 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 21' ' ' LYS . 6.5 m170 -109.7 156.04 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.552 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 12.0 mt -109.28 139.02 44.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.784 ' NH1' ' CG ' ' A' ' 49' ' ' HIS . 4.6 ttm-85 -109.24 125.28 52.1 Favored 'General case' 0 C--N 1.248 -3.82 0 O-C-N 116.72 -3.738 . . . . 0.0 110.854 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 2.4 mt -113.82 158.62 14.1 Favored 'Isoleucine or valine' 1 C--N 1.188 -6.447 0 O-C-N 120.21 -1.556 . . . . 0.0 109.527 178.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.5 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 41.0 m-85 -115.71 157.88 23.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.389 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 5.7 m-80 -81.24 1.71 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.423 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.583 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 4.7 mpp? -153.93 132.33 12.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.381 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.611 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.9 m -53.29 164.33 0.47 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.544 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -54.14 -43.45 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.73 179.765 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -67.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.546 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -58.9 -27.46 65.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 3.2 t80 -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.4 m-80 -65.4 -40.11 93.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.46 -29.67 69.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.33 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.671 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -65.04 -28.89 69.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.798 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.1 mt -65.21 -28.98 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -71.77 0.4 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.879 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m -70.19 -51.89 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.212 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.74 -40.12 95.58 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.585 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.666 ' N ' ' O ' ' A' ' 38' ' ' SER . 18.7 t70 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.813 0.339 . . . . 0.0 110.548 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 47' ' ' HIS . 40.9 p-80 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.841 0.353 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.609 ' O ' ' ND2' ' A' ' 29' ' ' ASN . . . -173.1 154.15 19.89 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.784 ' CG ' ' NH1' ' A' ' 26' ' ' ARG . 9.4 p-80 -134.22 160.19 38.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.566 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 2.0 t -116.78 138.77 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.49 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -120.97 135.26 55.25 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.495 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -109.64 140.56 43.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.691 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 55' ' ' TYR . 7.6 mp -110.75 168.08 9.75 Favored 'General case' 1 C--N 1.192 -6.262 0 O-C-N 118.015 -2.928 . . . . 0.0 110.547 -179.604 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -1.14 0.1 Allowed 'General case' 0 C--N 1.27 -2.849 0 O-C-N 121.495 -0.753 . . . . 0.0 111.237 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.681 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 1.2 p90 -177.03 5.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.251 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.35 162.35 33.82 Favored 'General case' 0 C--N 1.276 -2.621 1 O-C-N 115.391 -4.568 . . . . 0.0 111.074 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -114.01 139.37 49.32 Favored 'General case' 1 C--N 1.235 -4.406 0 O-C-N 116.449 -3.907 . . . . 0.0 110.316 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.22 153.08 49.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.739 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -141.02 145.02 35.36 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.23 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 2.2 tt0 . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.108 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.527 ' OD2' ' CD2' ' A' ' 28' ' ' TYR . 25.8 t0 -83.29 108.73 16.7 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.797 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.636 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -140.17 160.26 40.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.156 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.604 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 5.8 ttp85 -141.05 161.62 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.451 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.13 127.5 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.738 ' HZ2' HH22 ' A' ' 26' ' ' ARG . 6.7 ttmt -129.81 99.76 5.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 61.65 -119.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -95.02 -5.44 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.298 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.32 159.45 16.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 0.0 110.928 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 9.7 mp -109.32 138.5 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.738 HH22 ' HZ2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -108.92 124.75 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.888 -179.338 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -111.24 158.56 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.338 179.096 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.604 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 31.9 m-85 -117.48 159.73 22.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.607 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.661 HD21 ' C ' ' A' ' 48' ' ' GLY . 10.0 m-80 -88.46 4.59 45.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.514 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 3.4 mpp? -150.59 119.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.136 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 m -43.07 169.26 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.969 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 2.4 tmtp? -59.76 -41.1 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 110.27 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -65.65 -66.35 0.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.341 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.684 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.21 -27.75 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.816 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 4.3 t80 -54.57 -47.88 72.75 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 5.7 m-80 -65.87 -43.44 88.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.024 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -31.03 71.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.843 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.8 p -59.12 -29.36 67.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.43 HG21 HD12 ' A' ' 39' ' ' ILE . 13.8 mm -65.64 -29.36 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.4 -71.27 0.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.142 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -69.17 -52.97 22.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.063 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.623 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.27 -45.92 89.1 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.674 ' N ' ' O ' ' A' ' 38' ' ' SER . 6.1 t70 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 0.0 110.6 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.661 ' C ' HD21 ' A' ' 29' ' ' ASN . . . -172.27 151.66 15.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.788 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -140.34 160.16 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.385 179.747 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.502 ' CG1' ' HE1' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -119.64 146.48 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 -179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.52 ' OD1' ' CD ' ' A' ' 60' ' ' GLU . 1.8 m-20 -128.24 135.71 50.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.638 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.502 ' HE1' ' CG1' ' A' ' 50' ' ' VAL . 15.6 m95 -110.12 140.3 44.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.101 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' A' ' 55' ' ' TYR . 5.5 mp -109.25 78.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.819 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.6 ptt? 38.26 9.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.153 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.719 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER 175.92 -20.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.456 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.51 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -109.42 159.49 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.62 -179.604 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.05 136.15 49.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.06 160.35 39.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -124.07 143.97 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.623 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 3.8 pt-20 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.964 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 32' ' ' LYS . 1.4 m-20 -55.07 126.53 25.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.324 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -140.15 164.1 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.12 168.7 19.73 Favored 'General case' 0 C--N 1.281 -2.372 3 O-C-N 108.88 -8.637 . . . . 0.0 110.241 -178.17 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.61 133.78 60.91 Favored 'Isoleucine or valine' 1 C--N 1.092 -10.627 2 O-C-N 112.764 -6.21 . . . . 0.0 110.546 -178.821 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.649 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -138.58 114.62 10.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.584 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.466 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 47.5 t-20 48.26 -127.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.466 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 7.0 mtm180 -88.86 2.68 53.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 1.6 m-70 -116.38 156.97 25.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.102 0.477 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 4.4 mm? -109.4 136.49 48.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.649 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -107.06 118.19 36.04 Favored 'General case' 0 C--N 1.281 -2.385 0 O-C-N 121.029 -1.044 . . . . 0.0 111.162 -179.044 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 3.3 mt -108.62 154.9 9.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.624 -1.297 . . . . 0.0 109.62 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.428 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 37.5 m-85 -111.63 156.52 21.69 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.921 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 30' ' ' MET . 61.8 m-20 -96.28 52.11 1.24 Allowed 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.646 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.578 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 2.2 mtp 157.23 141.23 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.607 0.718 . . . . 0.0 110.566 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.673 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -66.47 157.87 30.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.008 -179.718 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.2 ttpp -44.74 -36.84 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.512 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.9 m -65.49 -70.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.673 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.85 -28.74 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.9 -46.35 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.0 m-80 -66.21 -42.06 89.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.276 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -34.23 77.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.827 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.7 p -58.47 -29.8 66.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.21 -30.83 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -71.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.316 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.8 m -69.23 -52.67 25.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.352 -1.294 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.616 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.58 -44.03 93.48 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.347 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.1 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.03 0.443 . . . . 0.0 110.032 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.509 ' N ' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.584 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.22 156.82 26.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.578 ' O ' ' OE2' ' A' ' 60' ' ' GLU . 25.5 p-80 -140.55 160.49 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.212 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.88 138.39 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.478 ' OD2' ' OE2' ' A' ' 60' ' ' GLU . 1.9 m-20 -121.96 134.56 54.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.943 0.401 . . . . 0.0 111.008 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -109.48 137.59 47.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.654 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -108.53 161.26 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 0.0 110.53 -179.368 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.425 ' H ' ' HG ' ' A' ' 53' ' ' LEU . 22.8 ptm -68.54 25.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.029 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.654 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -171.24 -34.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.416 -179.324 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.501 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 23.2 p -139.3 160.84 38.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 15.5 p-10 -109.7 150.0 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.63 154.87 51.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -140.54 144.52 35.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.236 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.575 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -90.62 108.24 19.68 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.234 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.509 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 7.4 p90 -140.89 161.31 38.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.493 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 5.8 ttp85 -140.1 161.0 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 72.4 t -109.07 119.45 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.771 ' HZ1' HH21 ' A' ' 26' ' ' ARG . 2.3 tppt? -121.57 129.09 52.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.3 m120 38.44 -121.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -95.83 3.3 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 21' ' ' LYS . 4.3 m170 -117.6 156.37 28.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.099 0.476 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 10.2 mp -109.26 136.51 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.771 HH21 ' HZ1' ' A' ' 21' ' ' LYS . 9.0 ttp85 -109.01 125.51 52.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.9 mt -111.01 157.77 11.77 Favored 'Isoleucine or valine' 1 C--N 1.221 -4.991 0 O-C-N 117.513 -3.242 . . . . 0.0 109.594 179.572 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.682 ' OH ' ' NH1' ' A' ' 26' ' ' ARG . 56.7 m-85 -116.02 127.39 54.87 Favored 'General case' 1 C--N 1.223 -4.919 0 O-C-N 119.828 -1.795 . . . . 0.0 109.661 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 30' ' ' MET . 42.1 t30 -61.8 -4.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.557 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.607 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 3.1 mtt -153.92 119.3 5.15 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.538 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.622 ' O ' ' N ' ' A' ' 35' ' ' PHE . 8.0 m -67.21 166.14 14.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.646 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.675 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttp -37.91 -48.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.29 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 m -66.09 -63.34 1.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.703 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -59.65 -28.27 67.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.982 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.622 ' N ' ' O ' ' A' ' 31' ' ' CYS . 79.9 t80 -65.06 -46.12 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.675 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.1 m-80 -65.82 -39.24 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.9 -31.83 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.738 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.637 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.4 p -64.27 -28.63 69.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.016 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.3 -31.55 54.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -79.05 -68.97 0.61 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.425 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -67.89 -51.1 51.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.988 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.53 -47.65 75.87 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.507 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 31.3 t0 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 0.0 111.031 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.85 0.357 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.88 120.04 2.13 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.548 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 3.8 p-80 -130.79 157.91 41.56 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.996 0.427 . . . . 0.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.7 t -113.41 131.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 116.49 -3.881 . . . . 0.0 110.339 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -115.02 136.46 53.1 Favored 'General case' 1 C--N 1.227 -4.718 0 O-C-N 117.086 -3.508 . . . . 0.0 110.754 179.143 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -109.41 146.7 34.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.222 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 55' ' ' TYR . 6.0 mp -112.35 171.2 7.66 Favored 'General case' 1 C--N 1.156 -7.809 0 O-C-N 116.536 -3.852 . . . . 0.0 110.472 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -61.37 -1.08 0.46 Allowed 'General case' 0 C--N 1.263 -3.167 0 O-C-N 120.684 -1.26 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.46 ' H ' ' C ' ' A' ' 53' ' ' LEU . 1.1 p90 -174.37 2.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.24 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.27 162.29 33.92 Favored 'General case' 0 C--N 1.252 -3.635 1 O-C-N 113.597 -5.69 . . . . 0.0 110.999 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 155.29 25.4 Favored 'General case' 1 C--N 1.222 -4.952 1 O-C-N 113.856 -5.527 . . . . 0.0 110.29 179.838 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -138.59 154.63 48.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -140.98 134.45 29.91 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 . . . . . 0 C--N 1.322 -0.593 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.019 179.174 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -82.98 106.5 14.86 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -140.35 161.11 38.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -140.37 167.98 20.88 Favored 'General case' 1 C--N 1.194 -6.19 3 O-C-N 107.511 -9.493 . . . . 0.0 110.628 -179.198 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 t -116.72 119.29 61.53 Favored 'Isoleucine or valine' 1 C--N 1.162 -7.584 3 O-C-N 108.799 -8.688 . . . . 0.0 110.41 -179.158 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.677 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 7.0 tptm -120.77 125.69 48.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.256 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 40.93 -120.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 4.46 45.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.842 0.353 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -109.43 157.66 18.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.498 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 11.6 mt -109.3 136.17 49.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.677 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -111.15 122.62 48.36 Favored 'General case' 0 C--N 1.37 1.488 0 O-C-N 120.84 -1.163 . . . . 0.0 111.135 -178.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.545 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.5 mt -109.38 159.64 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.9 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.545 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 45.7 m-85 -118.84 158.94 24.66 Favored 'General case' 0 C--N 1.245 -3.942 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.646 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.555 HD21 ' CA ' ' A' ' 48' ' ' GLY . 18.2 m-20 -84.8 -1.38 56.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.827 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.415 ' HE3' ' CB ' ' A' ' 38' ' ' SER . 3.8 mpp? -147.43 131.59 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.516 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.633 ' O ' ' N ' ' A' ' 35' ' ' PHE . 2.9 m -57.75 162.61 3.02 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.63 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -46.65 -52.0 14.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.384 . . . . 0.0 111.216 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 m -60.85 -67.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.509 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.29 -27.68 56.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.291 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.633 ' N ' ' O ' ' A' ' 31' ' ' CYS . 2.9 t80 -62.13 -45.88 91.51 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.63 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -65.66 -41.55 92.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.852 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' SER . 1.5 t-20 -66.74 -34.52 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.919 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.642 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -59.41 -32.28 70.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.974 179.502 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mt -65.77 -30.72 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.52 -70.22 0.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.835 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.8 m -68.44 -52.19 35.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.135 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.642 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.23 -41.75 96.65 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.642 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.9 t0 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.94 0.4 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.555 ' CA ' HD21 ' A' ' 29' ' ' ASN . . . -146.58 159.36 27.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.633 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.73 156.99 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.422 . . . . 0.0 111.024 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.604 ' CG2' ' HG2' ' A' ' 59' ' ' LYS . 2.8 t -118.7 123.18 71.12 Favored 'Isoleucine or valine' 1 C--N 1.231 -4.558 3 O-C-N 107.749 -9.344 . . . . 0.0 110.528 179.851 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 1.9 m-20 -107.8 137.33 46.0 Favored 'General case' 1 C--N 1.148 -8.169 3 O-C-N 109.126 -8.484 . . . . 0.0 110.429 179.276 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.461 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -110.29 139.01 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.18 179.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.656 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -107.82 158.61 17.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -70.64 26.19 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.164 0.507 . . . . 0.0 109.811 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.656 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -162.13 -42.11 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.915 -179.488 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 1.8 t -140.88 160.29 40.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.721 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -113.43 158.19 20.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.512 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.08 155.08 47.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.611 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.604 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 4.9 mtmt -133.39 137.85 46.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.5 pm0 . . . . . 0 C--N 1.326 -0.415 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.013 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 5.9 tpp180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.773 0.321 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.569 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.6 p-10 -66.08 130.7 44.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.454 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 6.4 p-90 -140.86 160.05 40.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.635 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -140.68 160.89 39.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.475 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 32.2 t -108.66 112.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.131 0.491 . . . . 0.0 110.268 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -117.31 114.28 23.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 49.61 -130.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -88.25 1.24 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.498 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.665 ' CG ' HD12 ' A' ' 53' ' ' LEU . 5.0 m170 -111.03 161.26 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -108.16 161.05 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.241 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 2.8 ttt180 -134.07 117.87 17.11 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.177 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 28' ' ' TYR . 2.6 mp -111.68 155.36 13.05 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.385 0 O-C-N 117.602 -3.186 . . . . 0.0 109.537 179.166 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.635 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.8 m-85 -118.42 154.35 32.59 Favored 'General case' 1 C--N 1.213 -5.336 0 O-C-N 120.508 -1.37 . . . . 0.0 110.986 -178.682 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 30' ' ' MET . 36.8 m-80 -89.54 44.02 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.482 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 3.2 mtm 159.71 139.59 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.995 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -60.22 171.36 1.04 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.722 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.513 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.3 tptt -59.21 -36.09 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.24 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 m -65.53 -66.41 0.55 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.72 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.695 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.4 p -55.14 -26.85 41.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.525 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.571 ' O ' ' OG ' ' A' ' 38' ' ' SER . 23.5 t80 -55.3 -48.67 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 0.0 109.886 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.6 m-80 -65.29 -42.15 93.41 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -31.87 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.742 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 34' ' ' CYS . 28.6 p -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.983 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mt -65.03 -29.39 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -70.36 0.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.215 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 m -68.18 -50.94 51.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.967 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.4 -47.56 77.81 Favored Glycine 0 C--N 1.33 0.227 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 38' ' ' SER . 9.7 t70 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 0.0 110.977 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.9 m80 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.858 0.361 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 169.55 154.44 9.2 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.785 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 15.9 p-80 -140.37 159.1 42.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.136 0.494 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -113.96 128.62 70.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 116.542 -3.849 . . . . 0.0 109.975 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 2.4 m-20 -123.88 142.17 51.38 Favored 'General case' 1 C--N 1.218 -5.14 0 O-C-N 118.488 -2.632 . . . . 0.0 110.631 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -109.71 148.94 30.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.025 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.665 HD12 ' CG ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -112.79 168.85 9.34 Favored 'General case' 1 C--N 1.155 -7.88 0 O-C-N 118.235 -2.791 . . . . 0.0 110.084 -179.647 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -66.59 4.51 0.76 Allowed 'General case' 0 C--N 1.285 -2.201 0 O-C-N 120.998 -1.064 . . . . 0.0 110.966 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.628 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.2 OUTLIER -173.16 -4.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.962 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.628 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -136.01 161.03 36.82 Favored 'General case' 0 C--N 1.249 -3.779 1 O-C-N 114.813 -4.93 . . . . 0.0 110.986 179.758 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 58' ' ' ALA . 2.5 t0 -112.68 144.83 41.53 Favored 'General case' 0 C--N 1.251 -3.679 1 O-C-N 114.299 -5.25 . . . . 0.0 109.993 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.667 ' N ' ' OD1' ' A' ' 57' ' ' ASP . . . -124.95 153.61 42.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.42 142.44 35.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.057 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 4.4 tt0 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.613 ' H ' ' CD ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.599 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -87.41 139.9 30.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 p90 -140.2 157.69 45.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.951 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -141.45 161.93 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.296 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 8.1 t -108.01 116.57 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.047 0.451 . . . . 0.0 110.716 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.798 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 5.4 ttmt -119.33 109.99 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.541 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.694 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.7 OUTLIER 54.04 -131.69 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.511 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.654 ' C ' ' HD1' ' A' ' 24' ' ' HIS . 21.2 mmt-85 -88.03 1.36 54.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.574 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.76 ' CE1' ' CD2' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -109.48 159.57 16.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' N ' HD22 ' A' ' 25' ' ' LEU . 3.6 mm? -109.08 138.24 45.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.798 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -109.2 116.92 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.321 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.83 153.08 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.958 178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 30.8 m-85 -110.15 150.53 28.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.676 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -69.61 -17.54 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.624 -179.464 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.571 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 12.2 mtm -145.79 156.45 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' N ' ' HB3' ' A' ' 16' ' ' ARG . 3.6 m -65.28 172.78 2.9 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.616 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.517 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -60.13 -44.04 95.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 m -65.89 -68.72 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.093 0.473 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -47.96 -28.1 2.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.467 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.44 -45.94 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.0 m-80 -65.51 -39.18 91.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -31.74 72.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.467 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.629 ' O ' ' CA ' ' A' ' 42' ' ' GLY . 1.0 OUTLIER -60.31 -29.91 69.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -30.66 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -78.74 -70.74 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.205 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 m -68.8 -52.03 34.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.078 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.629 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.24 -45.52 90.85 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.9 t0 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.96 0.409 . . . . 0.0 110.548 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.648 ' CG ' ' O ' ' A' ' 47' ' ' HIS . 6.6 p-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.92 160.47 33.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' HH11 ' A' ' 26' ' ' ARG . 14.6 p-80 -139.77 160.17 40.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.81 136.95 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.214 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.89 131.81 54.23 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.471 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.36 140.44 43.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.988 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.76 ' CD2' ' CE1' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -111.44 155.71 22.76 Favored 'General case' 1 C--N 1.19 -6.356 0 O-C-N 118.966 -2.333 . . . . 0.0 110.479 -179.191 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -10.12 0.06 Allowed 'General case' 0 C--N 1.26 -3.31 0 O-C-N 120.826 -1.171 . . . . 0.0 110.735 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.614 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.3 OUTLIER -166.21 8.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.237 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.614 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -135.63 158.02 45.42 Favored 'General case' 0 C--N 1.269 -2.923 1 O-C-N 115.925 -4.235 . . . . 0.0 110.882 179.305 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -121.17 139.73 52.96 Favored 'General case' 1 C--N 1.241 -4.116 0 O-C-N 116.658 -3.776 . . . . 0.0 110.489 179.772 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.71 155.33 49.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -140.47 141.2 35.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' OE2' ' C ' ' A' ' 60' ' ' GLU . 3.6 tp10 . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 121.081 0.467 . . . . 0.0 109.788 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.734 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.926 0.393 . . . . 0.0 111.414 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 18.4 p-10 -85.95 125.35 33.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.709 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.561 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -141.42 161.84 36.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.102 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 7.9 ttp85 -140.7 160.43 40.05 Favored 'General case' 1 C--O 1.107 -6.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.96 -178.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 94.9 t -109.3 110.75 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.779 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.1 OUTLIER -109.78 117.31 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.662 -179.773 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 1.4 m-20 46.41 -125.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' C ' ' HD1' ' A' ' 24' ' ' HIS . 3.7 tpt180 -90.39 -0.25 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.355 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.872 ' N ' ' HD1' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -111.17 157.14 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.4 mp -109.76 138.98 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.779 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -109.36 124.16 50.52 Favored 'General case' 1 C--O 1.093 -7.133 0 CA-C-O 124.337 2.018 . . . . 0.0 110.86 -179.445 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mt -110.8 151.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 O-C-N 120.133 -1.604 . . . . 0.0 109.843 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.529 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.1 m-85 -117.84 160.75 20.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.939 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.64 ' C ' ' SD ' ' A' ' 30' ' ' MET . 7.3 m-80 -91.74 -18.12 24.39 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.363 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.64 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 2.1 mpp? -134.9 136.43 42.35 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.179 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.2 m -61.03 176.42 0.42 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.562 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 8.9 tttp -56.91 -35.27 68.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -70.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.679 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 1.2 p -61.19 -27.58 68.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.595 ' O ' ' OG ' ' A' ' 38' ' ' SER . 5.5 t80 -54.08 -49.31 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.37 0.605 . . . . 0.0 109.56 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.0 m-80 -66.76 -38.94 87.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.208 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.8 t-20 -65.72 -36.13 82.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.86 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.66 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -57.16 -29.2 63.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 7.0 mm -65.64 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -79.28 -64.69 1.13 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.36 178.222 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -66.87 -52.34 44.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -64.92 -48.83 67.03 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 38.0 t70 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.533 -0.333 . . . . 0.0 111.279 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.495 ' HD1' ' HE1' ' A' ' 30' ' ' MET . 8.9 m-70 . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' H ' ' HB3' ' A' ' 47' ' ' HIS . . . -147.74 161.1 28.49 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.828 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -135.36 159.54 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.97 0.414 . . . . 0.0 110.739 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -112.08 140.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.736 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -122.56 134.25 54.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.653 179.418 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -109.99 138.95 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.133 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -109.6 77.32 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.023 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.3 ptm 38.18 7.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.358 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER 178.03 -21.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.329 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.704 ' OG1' ' CZ ' ' A' ' 55' ' ' TYR . 23.1 m -111.8 160.09 17.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 56' ' ' THR . 4.9 t70 -131.44 137.7 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.524 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.06 160.23 40.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.336 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -116.75 140.61 49.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.657 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 6.1 pt-20 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.829 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' CE1' ' A' ' 3' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.56 166.37 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.496 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 1' ' ' GLY . 9.3 m-85 -130.69 -128.01 0.2 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.491 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -106.94 1.21 24.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.262 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 m -60.79 174.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -138.82 99.14 8.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -79.07 168.85 20.04 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.621 2.214 . . . . 0.0 112.204 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.763 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -55.52 168.66 0.37 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.281 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.763 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 15.7 m -128.9 -32.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.354 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -63.36 -19.24 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.693 ' C ' ' H ' ' A' ' 13' ' ' VAL . 3.8 m -125.6 -29.83 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.713 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER 51.06 3.67 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.105 179.092 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.693 ' H ' ' C ' ' A' ' 11' ' ' CYS . 14.2 m -109.0 0.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.227 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB1' ' SG ' ' A' ' 31' ' ' CYS . . . -139.47 153.57 70.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.138 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 57.3 Cg_endo -73.37 -68.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.902 2.401 . . . . 0.0 112.055 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.8 OUTLIER 160.15 112.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.676 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.6 p-10 -33.98 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -141.21 157.74 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.204 0.526 . . . . 0.0 111.04 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.2 tpp85 -141.08 165.3 27.93 Favored 'General case' 2 C--O 1.094 -7.096 0 O-C-N 119.645 -1.91 . . . . 0.0 109.826 179.714 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.2 t -111.95 125.43 69.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 118.095 -2.878 . . . . 0.0 110.645 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.772 ' HZ2' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -118.79 98.2 6.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -179.367 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.505 ' C ' ' H ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER 27.45 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.283 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 67.36 -13.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.927 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.505 ' H ' ' C ' ' A' ' 22' ' ' ASN . 5.3 m-70 -109.46 155.89 20.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.828 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 4.2 mm? -109.94 132.46 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.458 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.772 ' NH2' ' HZ2' ' A' ' 21' ' ' LYS . 1.2 ttp180 -113.49 125.88 54.7 Favored 'General case' 1 C--O 1.098 -6.905 0 CA-C-O 124.418 2.056 . . . . 0.0 111.087 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.1 mp -109.41 164.1 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 120.135 -1.603 . . . . 0.0 109.36 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 49.7 m-85 -120.69 160.36 23.47 Favored 'General case' 1 C--N 1.209 -5.534 0 O-C-N 120.77 -1.206 . . . . 0.0 110.286 -179.482 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.485 ' ND2' ' SD ' ' A' ' 30' ' ' MET . 31.8 t30 -85.87 -14.4 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.751 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.621 ' SD ' ' O ' ' A' ' 46' ' ' TYR . 3.2 mpp? -140.25 138.04 34.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.611 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.747 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.7 m -56.96 171.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -57.12 -42.43 80.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.0 m -65.15 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.747 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.5 p -56.5 -28.97 61.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.179 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.644 ' HB2' HN61 ' A' 1318 ' ' ATP . 11.0 t80 -59.85 -50.46 73.7 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.3 m-80 -65.24 -40.57 94.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -66.68 -34.14 77.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.49 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.2 p -57.49 -30.73 65.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.8 mm -66.26 -33.58 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -78.55 -69.82 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.554 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -68.4 -52.61 31.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.024 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.66 -48.98 62.44 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.665 ' N ' ' O ' ' A' ' 38' ' ' SER . 44.4 t0 60.2 -51.76 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.907 0.384 . . . . 0.0 110.266 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.711 ' N ' ' O ' ' A' ' 42' ' ' GLY . 2.9 m-20 -157.98 58.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.441 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.641 ' C ' ' H ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -158.68 171.64 19.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.972 0.415 . . . . 0.0 111.018 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.621 ' O ' ' SD ' ' A' ' 30' ' ' MET . 3.9 m-85 52.0 2.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.755 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.641 ' H ' ' C ' ' A' ' 45' ' ' THR . 20.0 p-80 -72.29 103.62 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.397 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA2' HO2' ' A' 1318 ' ' ATP . . . -165.89 152.24 21.34 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.87 ' CD2' " H3'" ' A' 1318 ' ' ATP . 0.0 OUTLIER -141.16 160.44 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.689 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.423 ' CG2' ' HG2' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -123.57 131.5 72.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 116.657 -3.777 . . . . 0.0 110.639 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -111.6 132.16 54.75 Favored 'General case' 1 C--N 1.212 -5.377 0 O-C-N 119.527 -1.983 . . . . 0.0 110.403 178.938 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.407 ' CZ2' ' OD2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -109.41 134.32 51.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.665 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.625 ' C ' ' H ' ' A' ' 55' ' ' TYR . 6.7 mp -108.45 159.86 16.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.434 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 6.5 ptt? -71.15 34.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.625 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -169.89 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.649 -179.148 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.51 162.05 36.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.094 0.474 . . . . 0.0 111.504 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD2' ' CZ2' ' A' ' 52' ' ' TRP . 9.9 t0 -109.27 149.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.538 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.9 159.84 41.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.641 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 14.8 mtpp -129.44 141.2 51.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.01 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.685 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 4.3 pt-20 -140.23 78.8 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.296 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -94.89 -110.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.18 102.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.686 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.448 ' HG ' ' N ' ' A' ' 64' ' ' THR . 99.2 p -107.04 -45.04 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.522 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 63' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.497 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.87 " H3'" ' CD2' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.99 -172.77 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.534 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -120.44 -175.09 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.293 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 6' ' ' LYS . 25.2 ttt85 -116.95 -14.39 10.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.983 0.42 . . . . 0.0 110.646 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 4' ' ' ARG . 1.8 m -35.45 92.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.603 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 2.8 tttp -96.92 -44.17 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.606 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 70.9 Cg_endo -83.29 -166.48 0.38 Allowed 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.834 2.356 . . . . 0.0 111.985 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.737 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 6.0 t -46.65 168.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.204 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.737 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -136.85 -19.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.053 -179.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.434 HG21 ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -82.0 -13.72 12.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.015 0.436 . . . . 0.0 109.956 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.688 ' C ' ' H ' ' A' ' 13' ' ' VAL . 3.6 m -126.51 -27.9 3.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.22 10.82 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.458 178.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.688 ' H ' ' C ' ' A' ' 11' ' ' CYS . 3.0 m -111.25 -13.77 10.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.161 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . . . -118.41 158.42 46.87 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.896 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.495 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 48.5 Cg_endo -72.23 -81.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.708 2.272 . . . . 0.0 111.588 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' CG ' ' C ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER 172.86 108.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.343 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 16' ' ' ARG . 5.8 m-20 -32.17 131.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.538 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 4.1 p-90 -140.24 157.54 45.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.0 ttp85 -140.85 160.54 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.001 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.419 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.4 p -108.98 134.31 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.638 ' HZ3' ' PB ' ' A' 1318 ' ' ATP . 0.5 OUTLIER -138.89 125.38 20.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.906 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.573 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 3.6 p30 39.15 -114.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.912 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 5.7 mtp180 -104.12 10.48 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.671 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 1.2 m-70 -120.3 156.87 30.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.201 0.524 . . . . 0.0 111.12 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 25' ' ' LEU . 4.2 mm? -109.38 134.38 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.781 HH21 " H3'" ' A' 1318 ' ' ATP . 22.8 ttt180 -109.3 117.57 34.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.366 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -109.31 154.21 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.512 179.244 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.523 ' HH ' H5'2 ' A' 1318 ' ' ATP . 46.3 m-85 -111.61 160.32 17.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.454 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.465 ' C ' ' CG ' ' A' ' 30' ' ' MET . 43.4 t30 -75.31 -13.66 60.44 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.806 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.465 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 5.5 mtm -154.29 160.22 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.643 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 1.8 m -66.29 177.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.376 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' CB ' ' OD2' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -65.44 -33.71 76.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.021 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 m -66.71 -70.78 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.173 0.511 . . . . 0.0 110.087 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.643 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -44.81 -28.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.309 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.611 ' HB2' HN61 ' A' 1318 ' ' ATP . 0.5 OUTLIER -61.51 -48.04 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.533 ' ND2' ' CD2' ' A' ' 35' ' ' PHE . 2.2 m-80 -65.98 -41.98 90.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.304 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.56 -29.58 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.029 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 p -63.97 -28.67 69.97 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.44 -30.01 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -69.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.473 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.6 m -70.1 -50.93 35.86 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.101 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.678 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.7 -44.63 92.09 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.171 -178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.8 t0 59.02 -62.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.863 0.363 . . . . 0.0 110.795 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.678 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.4 p-10 -162.07 58.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.498 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.58 ' HG1' ' C ' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -168.03 42.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.222 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 47' ' ' HIS . 27.0 p90 -135.89 -27.06 1.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.34 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 46' ' ' TYR . 60.2 m-70 -40.88 132.17 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.919 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.24 126.48 0.85 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.692 ' ND1' ' OE1' ' A' ' 60' ' ' GLU . 43.8 p-80 -138.99 150.15 45.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.257 0.551 . . . . 0.0 110.261 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.417 ' CG2' ' HG2' ' A' ' 59' ' ' LYS . 0.9 OUTLIER -109.92 146.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.706 -179.53 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 m-20 -133.95 137.82 45.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.891 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -114.16 141.34 47.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.153 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.743 ' O ' ' N ' ' A' ' 55' ' ' TYR . 2.6 mm? -109.54 77.32 1.05 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.664 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ptt? 28.21 25.74 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.921 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.743 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 174.48 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.303 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.687 ' OG1' ' CZ ' ' A' ' 55' ' ' TYR . 1.2 m -109.33 155.35 21.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.925 0.393 . . . . 0.0 110.608 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' N ' ' CG2' ' A' ' 56' ' ' THR . 10.4 p-10 -114.07 139.73 49.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.35 156.01 34.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.28 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.417 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 66.6 mttt -140.68 135.67 31.87 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.645 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.692 ' OE1' ' ND1' ' A' ' 49' ' ' HIS . 1.5 tm-20 -141.33 78.11 1.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.363 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -115.7 -59.35 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.465 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m -75.13 -170.84 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -82.93 -176.49 6.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.555 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.781 " H3'" HH21 ' A' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 p -56.47 159.57 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -106.84 -55.29 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 63.67 46.8 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.709 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.11 -92.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.557 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -70.94 -45.79 15.28 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.227 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 17.6 Cg_exo -63.2 142.74 87.83 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.887 2.391 . . . . 0.0 111.526 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.778 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 6.0 t -47.77 169.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.778 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.8 p -143.43 -24.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -11.36 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.691 ' C ' ' H ' ' A' ' 13' ' ' VAL . 3.0 m -131.9 -33.96 1.33 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.781 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.97 1.6 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.873 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.691 ' H ' ' C ' ' A' ' 11' ' ' CYS . 3.0 m -102.11 -0.42 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.739 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . . . -140.9 153.38 67.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 40.4 Cg_endo -72.03 -73.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.698 2.266 . . . . 0.0 111.894 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' CG ' ' C ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER 171.86 110.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.303 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' ARG . 44.6 t0 -37.36 143.21 0.1 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.985 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.52 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 4.6 p90 -140.47 159.79 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.235 0.541 . . . . 0.0 110.941 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.659 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 0.3 OUTLIER -142.44 159.42 42.27 Favored 'General case' 1 C--O 1.07 -8.345 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.051 -178.858 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.462 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.9 t -107.24 132.64 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 110.398 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.708 ' NZ ' ' NH1' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -130.66 118.56 21.13 Favored 'General case' 1 C--O 1.137 -4.843 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.298 -179.261 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.588 ' C ' ' H ' ' A' ' 24' ' ' HIS . 2.5 m-20 22.55 88.14 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 126.611 2.444 . . . . 0.0 111.943 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' A' ' 23' ' ' ARG . 0.1 OUTLIER 57.97 -4.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.647 178.763 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.588 ' H ' ' C ' ' A' ' 22' ' ' ASN . 3.8 m170 -109.74 154.14 23.34 Favored 'General case' 1 C--O 1.078 -7.927 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.745 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mt -110.06 122.13 46.88 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 124.082 0.864 . . . . 0.0 109.433 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.708 ' NH1' ' NZ ' ' A' ' 21' ' ' LYS . 13.7 ttp-105 -102.06 123.67 46.34 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 125.975 2.047 . . . . 0.0 110.46 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.545 HG22 ' N ' ' A' ' 28' ' ' TYR . 1.0 OUTLIER -108.07 163.19 5.83 Favored 'Isoleucine or valine' 1 C--N 1.445 4.749 0 O-C-N 119.815 -1.803 . . . . 0.0 109.448 179.704 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.596 ' HH ' HH21 ' A' ' 19' ' ' ARG . 55.1 m-85 -124.17 159.51 29.9 Favored 'General case' 1 C--N 1.441 4.582 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.821 -179.178 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.443 ' ND2' ' CE2' ' A' ' 61' ' ' PHE . 26.9 m-20 -81.91 -8.1 59.65 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 128.835 3.834 . . . . 0.0 110.973 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtm -147.59 148.47 31.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 111.356 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.9 m -65.86 169.34 6.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.4 tttp -54.53 -41.53 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.401 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.481 ' H ' ' HG1' ' A' ' 33' ' ' THR . 0.2 OUTLIER -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.344 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -55.1 -27.75 47.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.506 ' HB2' HN61 ' A' 1318 ' ' ATP . 8.7 t80 -57.67 -47.13 83.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.19 -40.65 90.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.8 t30 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.124 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.649 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -56.65 -28.89 61.57 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.64 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -65.26 -29.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.39 -70.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.351 178.339 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.9 m -68.33 -52.12 36.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.006 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.4 -49.02 63.11 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 38' ' ' SER . 36.8 t0 56.49 -65.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.894 0.378 . . . . 0.0 111.015 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.687 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.5 p-10 -161.15 57.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.523 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.52 ' C ' ' H ' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -155.52 -60.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.737 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -68.8 43.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.52 ' H ' ' C ' ' A' ' 45' ' ' THR . 6.1 p-80 -110.99 145.07 39.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.677 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.43 144.24 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.75 ' HD1' " H2'" ' A' 1318 ' ' ATP . 2.7 p-80 -140.45 154.34 46.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.434 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 t -111.48 133.87 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.405 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.619 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -116.57 132.71 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.918 0.39 . . . . 0.0 110.574 179.532 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 140.52 45.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.741 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 7.5 mp -110.75 169.98 8.4 Favored 'General case' 1 C--N 1.156 -7.833 0 O-C-N 116.795 -3.69 . . . . 0.0 110.406 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 ptm -67.31 2.74 1.5 Allowed 'General case' 0 C--N 1.27 -2.884 0 O-C-N 119.665 -1.897 . . . . 0.0 110.702 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 55' ' ' TYR . 4.8 p90 -174.16 7.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.724 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.56 164.95 28.78 Favored 'General case' 1 C--N 1.22 -5.044 1 O-C-N 114.635 -5.041 . . . . 0.0 110.626 -179.855 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -134.96 132.15 38.05 Favored 'General case' 1 C--N 1.242 -4.085 1 O-C-N 114.592 -5.067 . . . . 0.0 110.573 -179.714 . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.26 160.01 23.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.541 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -140.46 139.96 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.996 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.635 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -139.68 78.41 1.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 179.519 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.443 ' CE2' ' ND2' ' A' ' 29' ' ' ASN . 1.7 t80 -90.75 -35.03 15.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.876 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 63' ' ' SER . 7.4 t -149.96 -63.66 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.486 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 62' ' ' SER . 53.8 m 48.63 100.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.457 ' H ' ' HG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.455 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.75 " H2'" ' HD1' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 p -81.16 148.73 29.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.897 0.38 . . . . 0.0 110.692 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -102.34 -110.72 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.78 2.22 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.7 m -78.57 159.56 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.611 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.459 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 39.1 mttt -143.89 81.66 11.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.05 178.82 6.78 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.036 2.491 . . . . 0.0 112.554 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.757 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 17.6 t -49.09 175.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.324 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.757 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 25.2 m -127.63 -28.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.939 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 10' ' ' VAL . 1.9 t -77.56 -11.42 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.19 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.671 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.3 m -133.6 -31.44 1.2 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.033 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HZ3' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER 46.31 8.99 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.246 0.546 . . . . 0.0 109.713 179.529 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.671 ' H ' ' C ' ' A' ' 11' ' ' CYS . 2.2 p -111.12 -3.65 10.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.636 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . . . -131.44 153.27 81.55 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.105 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 35.5 Cg_endo -68.13 -73.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.836 2.358 . . . . 0.0 111.888 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' ASP . 10.6 mtp180 161.51 107.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.426 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.612 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 31.1 m-20 -25.44 134.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.654 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -140.29 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.557 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.515 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 4.3 ttp85 -141.02 161.28 38.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.669 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.47 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.75 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.104 179.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.0 ttmt -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' LYS . 5.1 m120 35.08 -108.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.07 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.651 ' C ' ' HD1' ' A' ' 24' ' ' HIS . 6.7 tpp180 -118.87 6.71 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.042 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.678 ' CG ' HD22 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -109.44 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 9.9 mp -109.17 133.28 53.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -107.06 121.38 44.37 Favored 'General case' 0 C--N 1.409 3.191 0 O-C-N 127.694 3.121 . . . . 0.0 111.152 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.7 mt -109.13 160.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.395 2.566 0 O-C-N 119.101 -2.249 . . . . 0.0 109.178 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 53.8 m-85 -120.75 157.85 28.78 Favored 'General case' 1 C--N 1.206 -5.647 0 O-C-N 119.486 -2.009 . . . . 0.0 110.707 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.649 ' O ' ' SD ' ' A' ' 30' ' ' MET . 26.2 m-20 -77.66 -19.14 55.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.021 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.649 ' SD ' ' O ' ' A' ' 29' ' ' ASN . 3.3 mpp? -139.05 147.2 41.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.888 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 4.0 m -65.29 169.44 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.94 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.612 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 8.2 tttt -52.83 -46.25 67.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.6 m -65.15 -69.74 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -51.04 -28.19 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.461 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.702 ' HB2' HN61 ' A' 1318 ' ' ATP . 28.5 t80 -59.22 -49.22 78.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.4 m-80 -66.02 -41.45 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -66.81 -35.38 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.67 179.168 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.677 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -52.95 -31.19 39.11 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 mt -66.18 -30.34 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.4 mttt -78.95 -70.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.46 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -67.9 -52.61 34.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.717 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.72 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.82 -50.7 51.74 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 38' ' ' SER . 62.2 t0 50.94 -70.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.096 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.72 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.0 t70 -28.65 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.339 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.703 ' O ' ' N ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -162.94 -44.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 40.61 13.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.988 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.703 ' N ' ' O ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -73.15 159.87 32.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.735 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.73 137.07 3.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.815 ' H ' ' HD1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -140.25 159.66 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 110.863 -179.789 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.75 134.96 50.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 O-C-N 116.357 -3.964 . . . . 0.0 110.672 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -117.05 131.97 56.8 Favored 'General case' 1 C--N 1.198 -6.021 0 O-C-N 118.542 -2.599 . . . . 0.0 109.966 178.872 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 146.15 35.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.678 HD22 ' CG ' ' A' ' 24' ' ' HIS . 1.8 mm? -110.33 169.95 8.4 Favored 'General case' 1 C--N 1.163 -7.5 0 O-C-N 117.643 -3.161 . . . . 0.0 109.534 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 13.4 ptt? -79.2 27.14 0.25 Allowed 'General case' 0 C--N 1.274 -2.716 0 O-C-N 120.153 -1.592 . . . . 0.0 109.423 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.504 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -178.14 -20.37 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.245 -179.209 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.09 163.01 31.82 Favored 'General case' 0 C--N 1.247 -3.849 1 O-C-N 114.862 -4.899 . . . . 0.0 112.078 -179.225 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -112.73 143.71 43.48 Favored 'General case' 0 C--N 1.25 -3.725 1 O-C-N 114.759 -4.963 . . . . 0.0 109.505 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -138.66 159.69 41.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.616 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -136.27 148.61 48.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.259 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 51' ' ' ASP . 1.3 pt-20 -147.19 77.31 1.45 Allowed 'General case' 0 C--N 1.246 -3.906 0 O-C-N 121.353 -0.842 . . . . 0.0 110.738 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.556 ' O ' ' CB ' ' A' ' 62' ' ' SER . 67.3 m-85 -48.36 -36.17 13.97 Favored 'General case' 1 C--N 1.2 -5.933 0 O-C-N 119.44 -2.037 . . . . 0.0 110.199 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.1 m 86.19 82.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.555 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.627 ' OG ' ' N ' ' A' ' 64' ' ' THR . 0.3 OUTLIER -65.59 -91.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.627 ' N ' ' OG ' ' A' ' 63' ' ' SER . 1.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.677 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.749 " H3'" ' O1A' ' A' 1318 ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.02 94.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.676 0.274 . . . . 0.0 110.432 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER 41.97 -148.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.4 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 41.49 20.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.431 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.545 ' N ' ' O ' ' A' ' 3' ' ' PHE . 1.3 p -115.35 4.45 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.459 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 4.8 tttt -129.78 67.41 79.26 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.615 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.535 ' O ' ' O ' ' A' ' 8' ' ' CYS . 48.4 Cg_endo -73.69 -175.25 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.712 2.275 . . . . 0.0 111.591 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.749 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 8.7 t -42.06 170.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.511 -0.476 . . . . 0.0 109.964 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.749 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 20.5 m -125.83 -29.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.697 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.76 -12.45 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.184 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.708 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.4 m -135.13 -33.9 0.89 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.78 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.37 4.99 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.095 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.708 ' H ' ' C ' ' A' ' 11' ' ' CYS . 4.2 m -104.57 -4.54 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.38 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . . . -132.28 148.28 69.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.543 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 21.2 Cg_endo -65.02 -76.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.477 2.118 . . . . 0.0 111.48 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.648 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 4.4 mtp180 161.69 112.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.238 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.604 ' OD1' ' N ' ' A' ' 18' ' ' TRP . 52.1 t0 -32.74 143.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.073 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.604 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 17.8 p90 -140.09 158.62 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.067 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.668 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 4.1 ttp85 -140.87 162.95 34.25 Favored 'General case' 1 C--O 1.09 -7.339 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.178 -179.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.516 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 52.8 t -108.5 119.91 58.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 O-C-N 123.856 0.722 . . . . 0.0 110.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -109.01 93.78 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 6.1 t30 9.5 94.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.644 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 2.2 tpt180 95.57 -40.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.443 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.541 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 3.7 m-70 -109.48 159.2 17.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 6.9 mp -109.37 134.95 51.19 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.72 ' NH1' ' CD2' ' A' ' 49' ' ' HIS . 10.2 ttm-85 -110.71 123.2 49.57 Favored 'General case' 1 C--O 1.081 -7.806 0 CA-C-O 125.156 2.408 . . . . 0.0 111.519 -178.531 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.3 mp -110.03 154.5 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 119.603 -1.936 . . . . 0.0 108.79 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.668 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 33.3 m-85 -109.83 160.77 16.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.802 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.34 -6.52 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.602 ' SD ' ' O ' ' A' ' 46' ' ' TYR . 3.5 mpp? -147.9 142.11 26.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.729 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.9 m -58.86 172.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.056 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.674 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttt -60.22 -40.64 90.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.732 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -63.99 -68.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.043 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.729 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.2 p -54.55 -28.27 44.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.717 ' HB2' HN61 ' A' 1318 ' ' ATP . 12.6 t80 -60.43 -47.23 86.99 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.674 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -65.43 -42.2 92.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.944 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -33.82 76.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.532 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.647 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.8 p -59.67 -29.06 67.8 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.001 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.409 HD11 ' HE2' ' A' ' 47' ' ' HIS . 10.7 mm -65.1 -29.88 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -70.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.123 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -68.99 -51.98 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.063 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.682 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.57 -45.96 87.08 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 38' ' ' SER . 59.2 t0 59.79 -55.16 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.682 ' N ' ' O ' ' A' ' 42' ' ' GLY . 32.9 t70 -178.0 42.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.654 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 47' ' ' HIS . 5.0 m -124.19 -61.03 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.739 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.602 ' O ' ' SD ' ' A' ' 30' ' ' MET . 5.1 m-85 -77.91 29.73 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.583 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.477 ' H ' ' C ' ' A' ' 45' ' ' THR . 3.8 m170 -92.28 105.16 17.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.565 ' H ' ' H2 ' ' A' 1318 ' ' ATP . . . -156.12 154.44 25.53 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.72 ' CD2' ' NH1' ' A' ' 26' ' ' ARG . 14.9 p-80 -140.27 155.61 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.19 124.28 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.176 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 6.4 m-20 -112.16 133.9 54.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.394 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -109.49 137.91 46.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.788 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.618 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -107.89 160.48 15.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.076 -179.543 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' MET . 2.3 ptt? -71.03 32.31 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.776 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.618 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -177.34 -31.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.425 -179.293 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.495 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 6.9 m -140.01 160.47 39.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.727 0.299 . . . . 0.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.33 145.66 37.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.86 156.07 35.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -140.55 138.98 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 4.0 tt0 -140.57 77.01 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.827 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.683 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 1.9 t80 -139.18 65.12 1.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.495 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.2 p 80.78 -16.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.37 174.21 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.717 HN61 ' HB2' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -141.68 127.04 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.489 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -45.34 94.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.584 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -156.55 -66.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 m -138.36 121.65 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' PRO . 13.0 ttmm -131.35 61.35 58.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.237 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.554 ' O ' ' O ' ' A' ' 8' ' ' CYS . 86.2 Cg_exo -38.32 164.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 123.166 2.577 . . . . 0.0 112.232 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.773 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 6.6 t -41.7 171.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.181 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.773 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 19.1 t -127.46 -33.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.771 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -13.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.352 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.688 ' C ' ' H ' ' A' ' 13' ' ' VAL . 3.3 m -130.86 -34.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.653 ' CB ' ' HZ2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 52.28 3.05 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.796 179.248 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.688 ' H ' ' C ' ' A' ' 11' ' ' CYS . 33.7 m -105.81 -2.09 9.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -134.53 157.72 76.72 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.656 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 55.0 Cg_endo -71.58 -72.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.715 2.277 . . . . 0.0 111.757 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 17' ' ' ASP . 12.0 mtt180 160.85 111.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.229 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.559 ' C ' ' O ' ' A' ' 16' ' ' ARG . 18.5 t70 -25.9 136.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.985 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 15.2 p90 -140.26 157.91 44.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 111.217 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.497 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.5 ttp85 -141.13 160.74 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.91 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.497 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 7.3 p -108.56 127.99 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.003 0.43 . . . . 0.0 110.462 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.633 ' HZ1' ' NH1' ' A' ' 26' ' ' ARG . 18.7 ttmt -133.97 101.7 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 61.76 -132.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -0.93 55.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.646 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 2.7 m170 -112.73 156.56 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.437 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 2.8 mt -112.51 141.42 46.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.633 ' NH1' ' HZ1' ' A' ' 21' ' ' LYS . 4.3 ttt180 -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.441 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -109.75 156.38 10.6 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.655 0 O-C-N 116.817 -3.677 . . . . 0.0 109.163 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CE1' ' C8 ' ' A' 1318 ' ' ATP . 35.2 m-85 -114.63 160.62 19.1 Favored 'General case' 1 C--N 1.214 -5.287 0 O-C-N 118.278 -2.764 . . . . 0.0 110.783 -179.211 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.584 HD21 ' C ' ' A' ' 48' ' ' GLY . 29.6 m-80 -76.54 -12.4 60.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.045 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.444 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 4.1 mtm -151.97 154.12 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.126 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.752 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 7.6 m -66.0 176.0 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.192 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.619 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 4.2 tttm -64.6 -40.27 95.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 110.149 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -67.84 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.752 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -54.06 -28.29 37.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.298 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.834 ' HB2' HN61 ' A' 1318 ' ' ATP . 0.8 OUTLIER -60.53 -51.41 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.593 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -66.25 -40.42 90.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -65.73 -36.67 84.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.862 179.228 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.645 ' N ' ' O ' ' A' ' 34' ' ' CYS . 59.7 p -55.68 -29.96 60.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.9 mm -65.79 -30.97 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.84 -69.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.179 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 m -68.03 -52.35 36.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.05 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.7 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.4 -48.18 71.56 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.2 t70 56.16 -65.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.869 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.7 ' N ' ' O ' ' A' ' 42' ' ' GLY . 76.3 m-20 -38.6 -72.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.676 ' C ' ' H ' ' A' ' 47' ' ' HIS . 7.1 t -176.4 -41.13 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.904 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.474 ' N ' ' CG2' ' A' ' 45' ' ' THR . 5.9 m-85 41.91 13.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.175 0.512 . . . . 0.0 109.688 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.676 ' H ' ' C ' ' A' ' 45' ' ' THR . 40.2 m170 -62.18 169.2 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.584 ' C ' HD21 ' A' ' 29' ' ' ASN . . . 135.73 137.65 3.73 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.855 ' HD1' HO2' ' A' 1318 ' ' ATP . 41.8 p-80 -141.46 159.5 42.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.278 0.561 . . . . 0.0 111.205 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.453 HG23 ' CG ' ' A' ' 59' ' ' LYS . 1.4 t -116.98 148.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 O-C-N 116.369 -3.957 . . . . 0.0 110.396 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 1.7 m-20 -127.31 142.3 51.49 Favored 'General case' 1 C--N 1.212 -5.382 0 O-C-N 117.993 -2.942 . . . . 0.0 110.693 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -111.87 138.77 48.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.646 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -112.08 155.76 23.34 Favored 'General case' 1 C--N 1.162 -7.562 0 O-C-N 118.744 -2.473 . . . . 0.0 110.159 -179.665 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.4 ' N ' HD23 ' A' ' 53' ' ' LEU . 5.7 ptt? -53.59 -6.76 0.08 Allowed 'General case' 0 C--N 1.255 -3.519 0 O-C-N 120.387 -1.446 . . . . 0.0 111.043 -178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -166.76 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.687 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -137.57 163.13 31.94 Favored 'General case' 0 C--N 1.254 -3.565 1 O-C-N 115.213 -4.679 . . . . 0.0 111.264 179.542 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.83 130.53 47.06 Favored 'General case' 1 C--N 1.244 -4.01 1 O-C-N 115.486 -4.509 . . . . 0.0 110.156 179.262 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.06 153.69 37.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' HE3' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -140.03 141.75 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.482 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.671 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 1.2 pp20? -134.38 77.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.403 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.684 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER 170.41 -21.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.459 179.345 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -113.4 -14.55 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -166.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.529 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.855 HO2' ' HD1' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 3' ' ' PHE . 1.7 m -82.66 152.45 25.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.527 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 2' ' ' SER . 16.8 m-85 -48.36 179.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' HG2' HH11 ' A' ' 4' ' ' ARG . 22.4 mtp85 59.78 88.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.508 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -109.46 89.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 7' ' ' PRO . 37.6 tttp -127.03 86.71 58.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' LYS . 35.6 Cg_exo -57.03 -152.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.804 2.336 . . . . 0.0 111.795 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.789 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -55.9 174.3 0.12 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.093 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.789 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 55.6 t -111.22 -26.77 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.409 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.501 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -90.12 -6.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.615 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.671 ' C ' ' H ' ' A' ' 13' ' ' VAL . 3.3 m -139.45 -30.8 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.059 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp 50.25 5.1 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.26 0.552 . . . . 0.0 109.811 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.671 ' H ' ' C ' ' A' ' 11' ' ' CYS . 19.1 m -105.33 -0.79 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.738 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 8' ' ' CYS . . . -139.7 155.16 71.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 60.2 Cg_endo -76.11 -72.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.86 2.373 . . . . 0.0 112.556 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CG ' ' C ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 174.18 106.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.451 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' ARG . 7.6 t70 -34.82 143.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.64 155.44 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.652 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -141.42 160.51 39.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.471 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 79.9 t -108.87 118.67 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.08 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' NZ ' ' O3G' ' A' 1318 ' ' ATP . 3.8 ttmt -125.51 100.66 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.762 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 59.68 -134.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.19 -1.48 40.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.786 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -115.7 160.25 20.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.114 0.483 . . . . 0.0 111.313 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 25' ' ' LEU . 8.3 mp -109.01 161.14 15.44 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 5.4 ttt180 -133.21 119.44 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.123 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.25 146.21 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.605 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.652 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 m-30 -109.3 147.82 32.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.548 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -70.82 -21.03 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.46 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.0 mtm -131.5 147.19 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.779 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 2.3 m -65.01 169.06 5.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -53.24 -41.12 65.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -64.1 -65.94 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.779 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.1 p -60.12 -27.26 66.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.655 ' CE1' ' N7 ' ' A' 1318 ' ' ATP . 4.8 t80 -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.15 -42.34 89.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.1 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -31.49 72.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.832 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 34' ' ' CYS . 27.3 p -60.19 -29.81 68.94 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.99 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -78.55 -70.48 0.49 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.295 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.6 m -68.27 -52.28 35.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.706 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.33 -46.15 87.81 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 38' ' ' SER . 4.2 t0 59.82 -57.79 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.066 0.46 . . . . 0.0 110.391 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.6 p-10 -175.06 43.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.15 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.488 ' C ' ' H ' ' A' ' 47' ' ' HIS . 36.1 p -119.64 -73.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.046 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -71.75 17.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.488 ' H ' ' C ' ' A' ' 45' ' ' THR . 19.8 p-80 -69.46 162.57 27.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.42 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 125.79 142.63 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.935 ' HD1' " H2'" ' A' 1318 ' ' ATP . 3.4 p-80 -133.65 159.25 41.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.82 148.48 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.468 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -133.65 139.09 46.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.477 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 6.7 m95 -112.88 143.32 44.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.964 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 55' ' ' TYR . 4.1 mt -109.7 77.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.5 ptt? 37.69 9.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.104 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.741 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER 178.16 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.346 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.712 ' OG1' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -109.33 160.07 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.941 0.401 . . . . 0.0 110.903 -179.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -111.2 136.74 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -126.6 160.46 30.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -136.49 139.48 42.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.7 tt0 -141.13 79.35 1.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.805 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.222 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -90.54 154.11 19.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.44 . . . . 0.0 111.025 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.02 76.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.19 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.663 -179.809 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.935 " H2'" ' HD1' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.508 ' O ' ' OG ' ' A' ' 2' ' ' SER . 4.5 t -175.46 28.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.918 0.39 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 14.4 m-85 -141.56 30.95 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.58 -43.72 2.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.48 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.7 m -103.96 127.76 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.745 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -93.89 -34.22 0.31 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.432 179.691 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.745 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 24.2 Cg_exo -60.21 175.7 0.98 Allowed 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.593 2.195 . . . . 0.0 111.092 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' C ' ' O ' ' A' ' 7' ' ' PRO . 2.7 t -37.04 146.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.613 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.6 p -150.14 -18.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.601 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.5 -4.83 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.01 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.69 ' O ' ' N ' ' A' ' 13' ' ' VAL . 1.7 m -134.53 -38.88 0.82 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.814 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 42.79 12.48 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.531 0.681 . . . . 0.0 109.306 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.69 ' N ' ' O ' ' A' ' 11' ' ' CYS . 2.3 p -111.84 -9.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.371 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' A' ' 16' ' ' ARG . . . -112.74 137.98 21.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.716 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.89 27.78 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.529 2.153 . . . . 0.0 111.614 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.542 ' H ' ' C ' ' A' ' 14' ' ' ALA . 6.6 mtt180 64.16 103.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.078 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 16' ' ' ARG . 3.7 m-20 -29.62 135.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.278 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -140.23 160.75 39.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.286 0.565 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.749 ' NH2' ' HH ' ' A' ' 28' ' ' TYR . 1.6 ttp85 -139.58 159.75 41.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.153 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.47 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.9 113.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.971 0.415 . . . . 0.0 110.103 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.657 ' NZ ' ' NH2' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -109.18 118.99 38.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.016 -179.22 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 42.63 -90.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.241 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 8.0 mtt-85 -123.78 1.04 8.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.651 0.262 . . . . 0.0 111.424 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.46 ' CG ' ' HG ' ' A' ' 53' ' ' LEU . 2.1 m170 -109.72 159.07 17.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 25' ' ' LEU . 6.5 mp -109.12 129.79 55.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.657 ' NH2' ' NZ ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -109.15 128.74 55.27 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.326 -178.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -109.33 160.36 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.138 179.019 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.749 ' HH ' ' NH2' ' A' ' 19' ' ' ARG . 48.3 m-85 -123.03 121.0 35.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.226 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.661 HD21 ' C ' ' A' ' 48' ' ' GLY . 5.5 m-80 -48.96 -8.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.463 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.629 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 5.1 mpp? -155.54 138.83 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.691 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 10.3 m -63.79 172.28 2.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.206 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -54.21 -42.97 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.649 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -65.75 -70.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.747 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.4 p -55.32 -27.0 44.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' O ' ' OG ' ' A' ' 38' ' ' SER . 24.4 t80 -56.98 -49.77 74.71 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.62 -42.58 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.156 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -67.07 -35.2 79.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.555 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 34' ' ' CYS . 90.7 p -56.93 -29.23 62.94 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.437 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 6.6 mt -65.43 -32.4 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -79.28 -68.43 0.66 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.227 -1.351 . . . . 0.0 109.465 178.16 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -67.63 -51.8 45.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.017 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -63.67 -49.63 67.51 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.566 ' O ' ' C ' ' A' ' 44' ' ' ASP . 33.4 t70 51.78 -66.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.401 -0.399 . . . . 0.0 111.437 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 37.2 t0 -20.99 -72.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.913 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.658 ' O ' ' N ' ' A' ' 47' ' ' HIS . 66.6 p -146.9 -8.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.104 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 45' ' ' THR . 19.2 p90 33.66 26.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.63 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.693 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -122.49 151.43 41.33 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.661 ' C ' HD21 ' A' ' 29' ' ' ASN . . . 149.61 125.24 1.35 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.993 ' CD2' " H3'" ' A' 1318 ' ' ATP . 0.0 OUTLIER -141.37 160.49 40.01 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.183 0.516 . . . . 0.0 111.242 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.81 135.42 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.618 ' OD1' ' CD ' ' A' ' 26' ' ' ARG . 4.8 m-20 -124.01 127.86 48.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.018 0.437 . . . . 0.0 110.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -109.83 130.08 55.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.553 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.623 ' C ' ' H ' ' A' ' 55' ' ' TYR . 5.5 mp -107.97 160.65 15.61 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.224 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.8 ptm -71.92 22.94 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.623 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -166.89 -25.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.78 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' A' ' 53' ' ' LEU . 5.6 p -137.09 160.83 37.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.368 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 23.9 p30 -115.87 131.95 56.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.174 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.23 142.34 46.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.811 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -140.57 136.23 32.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.603 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 4.2 tt0 -138.87 78.05 1.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.263 0.554 . . . . 0.0 109.635 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.603 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 7.5 t80 90.56 58.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.047 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -17.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.534 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.646 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 6.1 t -41.56 116.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.446 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.455 ' C ' ' HZ3' ' A' ' 6' ' ' LYS . 71.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.993 " H3'" ' CD2' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -78.68 -71.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.508 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -162.11 163.77 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.419 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.67 ' C ' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 71.62 -150.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.389 -179.818 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.501 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 2.6 t 64.58 -15.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.44 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.67 ' H ' ' C ' ' A' ' 4' ' ' ARG . 44.4 mtmt 34.34 67.82 1.21 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.571 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 8' ' ' CYS . 26.0 Cg_endo -64.75 165.73 20.1 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.503 2.135 . . . . 0.0 111.845 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 14.1 t -39.34 169.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.488 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.717 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 32.8 m -134.04 -24.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -10.33 13.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.708 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.4 m -137.4 -33.45 0.74 Allowed 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.67 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mttp 47.31 6.54 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.323 0.582 . . . . 0.0 110.125 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.708 ' H ' ' C ' ' A' ' 11' ' ' CYS . 9.6 m -105.87 -2.35 9.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.062 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -134.39 158.08 76.0 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 59.9 Cg_endo -76.21 -72.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.764 2.309 . . . . 0.0 112.222 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.77 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 8.0 mtp180 160.34 109.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.194 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 16' ' ' ARG . 6.9 t70 -32.17 143.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 p90 -140.68 159.71 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.187 0.518 . . . . 0.0 111.501 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -142.83 158.91 43.16 Favored 'General case' 1 C--N 1.429 4.064 0 O-C-N 116.791 -3.693 . . . . 0.0 110.164 179.907 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -105.95 124.25 61.02 Favored 'Isoleucine or valine' 1 C--N 1.139 -8.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.124 -179.963 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.677 ' O ' ' N ' ' A' ' 24' ' ' HIS . 18.6 ttmt -136.2 139.97 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.543 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.694 ' C ' ' H ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER 22.74 83.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.175 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 46.4 2.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.412 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.694 ' H ' ' C ' ' A' ' 22' ' ' ASN . 2.9 m-70 -113.25 157.83 21.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.947 0.404 . . . . 0.0 110.805 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 4.0 mm? -109.09 117.92 35.43 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.686 ' CZ ' ' O3B' ' A' 1318 ' ' ATP . 2.5 ttp85 -95.25 122.52 38.03 Favored 'General case' 1 C--N 1.167 -7.329 0 O-C-N 117.673 -3.142 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -108.27 165.06 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 3 O-C-N 110.476 -7.64 . . . . 0.0 109.444 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.77 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 54.9 m-85 -119.89 159.88 23.78 Favored 'General case' 1 C--N 1.43 4.082 0 O-C-N 120.524 -1.36 . . . . 0.0 110.772 -178.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -87.43 9.77 19.67 Favored 'General case' 1 C--N 1.221 -5.013 1 O-C-N 130.18 4.675 . . . . 0.0 110.959 -179.461 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtm -162.83 142.25 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.696 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.774 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.3 m -64.22 -178.56 0.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.77 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.1 OUTLIER -65.19 -41.88 94.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.814 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -65.27 -61.82 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.53 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.4 p -60.2 -28.73 68.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' HB2' HN61 ' A' 1318 ' ' ATP . 2.3 t80 -59.87 -45.17 93.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.37 -40.38 89.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.188 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.0 t30 -65.97 -36.49 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.501 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLY . 38.3 p -55.08 -30.31 59.4 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 6.4 mt -66.3 -28.92 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.2 mmmp? -78.44 -68.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.223 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.4 m -67.91 -53.02 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.688 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.88 -50.87 50.41 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' SER . 50.4 t0 55.64 -65.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.881 0.372 . . . . 0.0 111.276 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.688 ' N ' ' O ' ' A' ' 42' ' ' GLY . 65.0 t0 -130.98 73.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.681 ' C ' ' H ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -135.25 -24.98 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.101 179.534 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.74 ' O ' " H1'" ' A' 1318 ' ' ATP . 25.9 m-85 52.54 -0.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.244 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.753 ' ND1' ' N3 ' ' A' 1318 ' ' ATP . 0.1 OUTLIER 29.95 -154.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.853 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' H ' ' HB2' ' A' ' 47' ' ' HIS . . . -136.56 174.13 21.7 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.258 -178.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.614 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.47 160.91 38.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.506 . . . . 0.0 110.058 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -114.06 130.81 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -113.37 127.79 56.25 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.472 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.544 ' CE2' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -109.69 136.24 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.864 179.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.602 ' C ' ' H ' ' A' ' 55' ' ' TYR . 4.3 mp -108.51 160.24 16.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.579 ' O ' ' SD ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -72.49 33.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.602 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -172.94 -32.83 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.33 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -140.68 162.39 35.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' OD2' ' CE2' ' A' ' 52' ' ' TRP . 24.1 t0 -109.07 145.3 35.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.122 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -126.71 157.25 39.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.799 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -140.28 138.82 35.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.594 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -140.66 78.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.992 179.111 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -55.66 -46.74 77.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 63' ' ' SER . 73.2 m -135.37 -103.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.664 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 62' ' ' SER . 1.0 OUTLIER 76.2 89.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.531 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.633 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.753 ' N3 ' ' ND1' ' A' ' 47' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -158.12 132.12 7.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.794 0.33 . . . . 0.0 110.594 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -64.77 -65.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 5' ' ' VAL . 29.9 mtp180 -88.39 112.83 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.554 ' O ' ' O ' ' A' ' 4' ' ' ARG . 25.0 t -31.96 -98.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.657 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 8' ' ' CYS . 2.3 tttp -168.53 119.29 0.65 Allowed Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.751 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.589 ' O ' ' O ' ' A' ' 8' ' ' CYS . 89.2 Cg_exo -41.84 84.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.557 2.171 . . . . 0.0 112.13 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 3.6 t 47.89 171.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.774 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -135.04 -28.4 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.471 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -9.6 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.149 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.706 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.6 m -139.08 -35.25 0.56 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.873 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.02 6.31 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.269 0.557 . . . . 0.0 110.106 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.706 ' H ' ' C ' ' A' ' 11' ' ' CYS . 8.1 m -106.48 -1.57 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.421 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.5 154.51 79.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.0 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 36.5 Cg_endo -67.37 -76.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.925 2.417 . . . . 0.0 111.544 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER 164.49 104.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.228 179.588 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.642 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 11.8 m-20 -32.03 133.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 p90 -140.95 158.64 43.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.659 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -140.94 161.96 36.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.107 -179.443 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.531 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 2.4 m -108.06 114.83 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.431 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.636 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 2.1 tppt? -118.29 107.57 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.632 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 22' ' ' ASN . 1.0 OUTLIER 56.51 -110.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.651 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.38 -1.37 21.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.706 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.621 ' ND1' ' HG ' ' A' ' 53' ' ' LEU . 3.4 m-70 -109.21 156.87 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 110.99 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.659 ' NH2' ' PB ' ' A' 1318 ' ' ATP . 11.6 ttm-85 -108.72 123.36 48.88 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.011 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.23 153.98 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.438 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.659 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 38.4 m-85 -113.1 150.19 32.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.494 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.33 -12.35 60.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.534 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 65.1 mtm -145.47 143.23 29.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.774 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.1 m -64.11 171.82 2.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.709 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.642 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 15.6 tttm -54.96 -47.04 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -61.88 -65.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 8.4 p -59.01 -28.24 66.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.758 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.73 ' HB2' HN61 ' A' 1318 ' ' ATP . 8.5 t80 -58.4 -49.39 77.45 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.09 -43.23 87.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.377 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.4 -31.17 71.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.123 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.745 ' HG ' ' CE1' ' A' ' 47' ' ' HIS . 79.8 p -64.76 -29.73 70.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.258 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mt -65.97 -34.09 67.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -66.84 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.115 -1.402 . . . . 0.0 109.652 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 m -67.82 -51.76 44.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.739 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.27 -52.95 35.96 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' C ' ' A' ' 44' ' ' ASP . 67.9 t0 52.25 -65.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.528 -0.336 . . . . 0.0 111.395 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 42' ' ' GLY . 13.0 t70 -2.01 -69.85 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.614 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' ASP . 7.0 p -159.29 -172.83 3.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.385 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.581 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -62.18 -13.73 30.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.208 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.745 ' CE1' ' HG ' ' A' ' 38' ' ' SER . 10.1 m80 89.87 -147.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.795 0.685 . . . . 0.0 111.226 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.546 ' HA2' HO2' ' A' 1318 ' ' ATP . . . -151.88 158.16 27.63 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.04 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.713 ' CE1' " H3'" ' A' 1318 ' ' ATP . 11.3 p-80 -133.43 161.47 34.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.345 -0.428 . . . . 0.0 110.774 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.44 136.53 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -118.48 144.92 45.66 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 143.97 44.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.626 ' O ' ' N ' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -112.67 66.94 0.65 Allowed 'General case' 1 C--N 1.241 -4.114 2 O-C-N 112.447 -6.408 . . . . 0.0 110.873 -179.746 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.651 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER 33.72 38.12 0.02 OUTLIER 'General case' 1 C--N 1.201 -5.891 0 O-C-N 119.828 -1.795 . . . . 0.0 110.359 177.783 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.651 ' CD1' ' O ' ' A' ' 54' ' ' MET . 0.8 OUTLIER 155.02 -37.6 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 O-C-N 124.062 0.852 . . . . 0.0 111.181 -179.701 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 57' ' ' ASP . 2.9 m -106.75 164.41 12.12 Favored 'General case' 0 C--N 1.272 -2.801 2 O-C-N 112.178 -6.577 . . . . 0.0 110.966 -179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 2.9 t70 -119.32 144.86 46.6 Favored 'General case' 1 C--N 1.146 -8.269 0 O-C-N 116.934 -3.604 . . . . 0.0 110.655 -179.471 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.49 160.66 38.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' NZ ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -135.82 144.44 45.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -139.09 78.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.209 0.528 . . . . 0.0 110.372 179.54 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 2.8 t80 90.53 26.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.567 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.63 -16.85 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.38 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.74 167.45 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.586 -179.881 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.73 HN61 ' HB2' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.601 ' C ' ' H ' ' A' ' 3' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.572 ' O ' ' OG ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -70.56 28.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.601 ' H ' ' C ' ' A' ' 1' ' ' GLY . 44.1 t80 -81.69 -55.19 4.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.661 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.15 94.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.769 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 6' ' ' LYS . 7.0 p -72.85 158.52 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.069 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.58 ' O ' ' O ' ' A' ' 7' ' ' PRO . 8.6 tttt -168.8 117.69 0.6 Allowed Pre-proline 0 C--N 1.328 -0.348 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.66 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.58 ' O ' ' O ' ' A' ' 6' ' ' LYS . 50.2 Cg_exo -47.72 -163.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.231 1.954 . . . . 0.0 112.102 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.816 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -52.61 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.473 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.816 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 33.4 t 132.69 23.79 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.735 ' C ' ' H ' ' A' ' 12' ' ' LYS . 2.1 t 75.23 -20.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.945 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.648 ' C ' ' H ' ' A' ' 13' ' ' VAL . 1.2 m 52.27 7.89 0.07 Allowed 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.735 ' H ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 49.03 12.43 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.108 -178.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.648 ' H ' ' C ' ' A' ' 11' ' ' CYS . 1.6 p -116.75 -4.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.447 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . . . -177.58 154.34 1.03 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.463 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 16' ' ' ARG . 91.4 Cg_endo -87.32 54.63 2.81 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.701 2.267 . . . . 0.0 111.847 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 32.63 90.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.17 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.692 ' OD2' ' CD2' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -16.59 135.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.044 -179.145 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -139.89 160.27 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.247 0.546 . . . . 0.0 111.371 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 3.4 ttp85 -140.81 161.72 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.153 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.491 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.5 p -107.55 130.07 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' NZ ' ' O3G' ' A' 1318 ' ' ATP . 9.8 ttmt -137.11 90.13 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.993 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 40.6 t-20 66.99 -130.12 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.75 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 27.7 mtm180 -87.36 -2.71 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.013 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 7.5 m-70 -108.93 160.6 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.138 0.494 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.5 mp -108.14 161.28 15.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.81 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -138.31 123.72 19.47 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.497 -179.447 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.485 ' O ' ' CB ' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -111.49 165.26 6.73 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.838 0 O-C-N 117.086 -3.508 . . . . 0.0 110.141 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.757 ' CE2' ' N7 ' ' A' 1318 ' ' ATP . 2.7 m-30 -115.03 121.1 42.07 Favored 'General case' 1 C--N 1.211 -5.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.013 179.537 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 8' ' ' CYS . 18.0 m-20 -38.91 -15.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.424 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.673 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -154.91 146.05 22.77 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.531 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.61 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.9 m -66.06 165.27 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.453 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -55.21 -38.69 68.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.229 179.22 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -67.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.534 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.624 ' O ' ' N ' ' A' ' 38' ' ' SER . 6.0 p -63.09 -27.91 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.61 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 19.9 t80 -57.49 -47.3 82.28 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.7 m-80 -65.41 -42.05 92.96 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.784 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.83 74.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.771 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 34' ' ' CYS . 12.6 p -61.38 -29.76 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.356 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.5 mm -66.45 -29.71 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -69.94 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.38 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 m -68.58 -52.69 28.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.978 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.71 -50.99 50.72 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' SER . 12.1 t70 57.35 -58.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.754 0.311 . . . . 0.0 110.98 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 46.0 t0 -142.24 65.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.649 ' C ' ' H ' ' A' ' 47' ' ' HIS . 5.5 t -175.99 170.69 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.815 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.439 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 8.5 m-85 63.91 -18.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.009 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.649 ' H ' ' C ' ' A' ' 45' ' ' THR . 41.2 m80 -55.8 91.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.232 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' H ' ' H2 ' ' A' 1318 ' ' ATP . . . -168.12 170.99 42.3 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.81 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -140.76 159.07 42.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.408 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.496 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -119.28 140.7 42.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 116.466 -3.896 . . . . 0.0 110.164 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.592 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -125.38 140.83 52.46 Favored 'General case' 1 C--N 1.206 -5.635 0 O-C-N 119.061 -2.274 . . . . 0.0 111.27 -179.872 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 144.48 37.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.331 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 24' ' ' HIS . 1.1 tp -112.92 169.52 8.86 Favored 'General case' 1 C--N 1.169 -7.255 0 O-C-N 118.738 -2.476 . . . . 0.0 110.783 -178.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -60.95 -1.07 0.37 Allowed 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.971 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.499 ' H ' ' C ' ' A' ' 53' ' ' LEU . 1.7 p90 -176.23 0.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.195 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.491 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -135.16 160.04 39.64 Favored 'General case' 0 C--N 1.277 -2.546 1 O-C-N 115.393 -4.567 . . . . 0.0 110.895 179.386 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.25 147.36 35.19 Favored 'General case' 0 C--N 1.249 -3.767 1 O-C-N 115.122 -4.736 . . . . 0.0 110.079 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.5 154.41 47.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.923 0.392 . . . . 0.0 110.819 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.487 ' HZ3' HG21 ' A' ' 50' ' ' VAL . 24.7 mttp -140.45 139.18 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.855 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 14.6 tt0 -140.92 78.85 1.67 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.509 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -96.97 -63.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.524 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.1 p -101.49 139.39 37.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -169.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.48 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.801 HO2' ' HD1' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.673 ' O ' ' CD1' ' A' ' 3' ' ' PHE . 67.4 m -88.53 147.79 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 110.594 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.673 ' CD1' ' O ' ' A' ' 2' ' ' SER . 30.3 m-85 -146.57 27.98 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.683 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.488 ' CG ' ' H ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER 59.62 -148.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.488 ' H ' ' CG ' ' A' ' 4' ' ' ARG . 13.3 m -133.24 -161.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.428 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.466 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 8.0 mttt -109.61 -53.38 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.594 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 31.5 Cg_exo -54.9 -169.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.33 2.02 . . . . 0.0 111.598 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 30' ' ' MET . 4.4 m -90.35 -173.78 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.236 0.541 . . . . 0.0 110.347 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.577 ' C ' ' H ' ' A' ' 11' ' ' CYS . 8.5 p -152.8 39.52 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.666 ' C ' ' H ' ' A' ' 12' ' ' LYS . 1.8 t 78.17 -17.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 113.953 -1.476 . . . . 0.0 108.212 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.668 ' C ' ' H ' ' A' ' 13' ' ' VAL . 23.6 m 47.55 13.99 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.666 ' H ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 43.6 14.51 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 113.441 -1.709 . . . . 0.0 109.366 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.668 ' H ' ' C ' ' A' ' 11' ' ' CYS . 6.0 p -129.73 5.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 113.826 -1.534 . . . . 0.0 108.965 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 31' ' ' CYS . . . -172.25 153.95 3.15 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.181 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.669 ' O ' ' N ' ' A' ' 17' ' ' ASP . 47.8 Cg_endo -92.2 84.62 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.954 2.436 . . . . 0.0 112.93 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.616 ' C ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -17.38 82.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.132 179.772 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.669 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -16.61 119.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.716 -179.38 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.531 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -140.99 157.94 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.471 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.535 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.7 ttp85 -141.64 161.81 37.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.535 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -106.74 125.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 109.935 -179.701 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 24' ' ' HIS . 5.5 ttmt -128.35 161.2 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.128 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.723 ' C ' ' H ' ' A' ' 24' ' ' HIS . 2.0 m120 -10.47 91.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.449 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 7.6 mtm105 46.64 1.35 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.452 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.723 ' H ' ' C ' ' A' ' 22' ' ' ASN . 6.6 m170 -109.92 162.01 14.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.277 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mp -106.8 160.1 15.74 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.687 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 19.4 ttt85 -136.44 117.03 13.87 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.03 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.57 156.41 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.758 ' CE2' ' N7 ' ' A' 1318 ' ' ATP . 4.9 m-30 -108.44 129.93 55.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.486 ' C ' ' CG ' ' A' ' 30' ' ' MET . 1.3 m-80 -42.74 -17.1 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.566 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -157.43 149.74 22.74 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.356 -0.537 . . . . 0.0 111.267 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.6 m -66.46 172.74 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.449 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 7.5 ttpt -58.07 -45.41 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.703 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.477 ' H ' ' HG1' ' A' ' 33' ' ' THR . 1.0 OUTLIER -64.97 -67.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -52.8 -27.85 19.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.253 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.579 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -61.62 -45.12 95.41 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.4 m-80 -64.05 -39.65 94.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.737 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.26 -30.39 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.446 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 43' ' ' ASP . 4.9 p -65.03 -29.59 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.021 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.8 mt -66.37 -29.78 47.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -70.75 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.359 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -68.78 -52.68 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.854 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.42 -48.5 68.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 38' ' ' SER . 5.4 t70 58.18 -60.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 0.0 110.501 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.5 t0 -158.45 56.8 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.307 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.629 ' CG2' ' O ' ' A' ' 45' ' ' THR . 12.8 t -174.53 77.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.586 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' CD2' ' O ' ' A' ' 45' ' ' THR . 0.5 OUTLIER 168.85 -16.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.129 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.597 ' ND1' ' N ' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -62.46 105.01 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.484 179.752 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.433 ' H ' ' H2 ' ' A' 1318 ' ' ATP . . . -171.8 162.16 34.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.712 ' HD1' HO2' ' A' 1318 ' ' ATP . 1.7 p-80 -139.96 160.28 40.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 0.0 110.742 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.484 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -117.56 142.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.009 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -126.97 135.31 50.7 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.023 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.78 139.59 44.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.83 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 55' ' ' TYR . 6.9 mp -112.88 162.24 16.05 Favored 'General case' 1 C--N 1.175 -7.017 0 O-C-N 117.525 -3.234 . . . . 0.0 110.416 -179.706 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -10.29 0.12 Allowed 'General case' 0 C--N 1.247 -3.881 0 O-C-N 120.887 -1.133 . . . . 0.0 110.701 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -169.97 11.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.116 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.65 33.85 Favored 'General case' 0 C--N 1.266 -3.034 1 O-C-N 114.409 -5.182 . . . . 0.0 111.02 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -133.12 129.11 37.48 Favored 'General case' 1 C--N 1.221 -5.021 1 O-C-N 115.536 -4.477 . . . . 0.0 110.214 179.443 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.55 160.29 32.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.33 144.08 49.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.386 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -140.51 79.43 1.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.45 179.655 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -99.61 161.21 13.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.412 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -61.99 96.46 0.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.816 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.12 -11.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.354 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.555 ' H ' ' C ' ' A' ' 62' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.758 ' N7 ' ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -113.21 101.45 9.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.709 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.479 ' O ' ' O ' ' A' ' 4' ' ' ARG . 59.0 m-85 -81.88 17.6 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.599 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER 52.61 165.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.515 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 t -92.25 146.8 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -114.65 149.09 41.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.33 -27.19 71.45 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.631 2.221 . . . . 0.0 111.638 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.816 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER 171.38 174.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.909 179.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.816 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 3.1 p 173.37 60.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.685 ' C ' ' SG ' ' A' ' 11' ' ' CYS . 2.4 t 85.96 -6.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -176.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.685 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 66.65 32.98 6.7 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.803 177.377 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.417 ' CG ' ' HB ' ' A' ' 10' ' ' VAL . 11.7 mtmt -76.1 -7.79 55.54 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -147.36 13.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.025 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' C ' ' H ' ' A' ' 16' ' ' ARG . . . -113.32 83.83 6.97 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.431 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 16' ' ' ARG . 32.7 Cg_endo -72.43 13.13 0.58 Allowed 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.198 1.932 . . . . 0.0 110.519 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' CE3' ' A' ' 18' ' ' TRP . 1.5 tmm_? -26.55 -69.9 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.558 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -71.79 105.65 3.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.364 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.595 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 2.4 p90 -141.72 161.53 37.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.508 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.469 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 5.8 ttp85 -140.69 162.2 35.95 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 116.403 -3.936 . . . . 0.0 110.151 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.469 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 43.4 t -110.11 115.6 50.14 Favored 'Isoleucine or valine' 1 C--N 1.216 -5.217 0 O-C-N 118.191 -2.818 . . . . 0.0 110.788 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' NZ ' ' O3G' ' A' 1318 ' ' ATP . 20.1 ttmt -119.64 119.07 32.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 47.82 -134.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.287 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 3.24 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 21' ' ' LYS . 6.5 m170 -109.7 156.04 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.552 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 12.0 mt -109.28 139.02 44.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.784 ' NH1' ' CG ' ' A' ' 49' ' ' HIS . 4.6 ttm-85 -109.24 125.28 52.1 Favored 'General case' 0 C--N 1.248 -3.82 0 O-C-N 116.72 -3.738 . . . . 0.0 110.854 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 2.4 mt -113.82 158.62 14.1 Favored 'Isoleucine or valine' 1 C--N 1.188 -6.447 0 O-C-N 120.21 -1.556 . . . . 0.0 109.527 178.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.531 ' CD1' ' C5 ' ' A' 1318 ' ' ATP . 41.0 m-85 -115.71 157.88 23.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.389 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 5.7 m-80 -81.24 1.71 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.423 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.583 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 4.7 mpp? -153.93 132.33 12.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.381 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.611 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.9 m -53.29 164.33 0.47 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.544 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -54.14 -43.45 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.73 179.765 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -67.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.546 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -58.9 -27.46 65.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.744 ' CG ' ' N6 ' ' A' 1318 ' ' ATP . 3.2 t80 -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.4 m-80 -65.4 -40.11 93.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.46 -29.67 69.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.33 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.671 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -65.04 -28.89 69.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.798 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.1 mt -65.21 -28.98 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -71.77 0.4 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.879 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m -70.19 -51.89 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.212 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.74 -40.12 95.58 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.585 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.666 ' N ' ' O ' ' A' ' 38' ' ' SER . 18.7 t70 61.03 -56.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.813 0.339 . . . . 0.0 110.548 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.663 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER 176.98 39.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.54 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.591 ' C ' ' H ' ' A' ' 47' ' ' HIS . 32.5 p -102.77 -71.84 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.819 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.93 27.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.711 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.725 ' HE2' ' HG ' ' A' ' 62' ' ' SER . 40.9 p-80 -74.24 109.57 7.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.587 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.609 ' O ' ' ND2' ' A' ' 29' ' ' ASN . . . -173.1 154.15 19.89 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.784 ' CG ' ' NH1' ' A' ' 26' ' ' ARG . 9.4 p-80 -134.22 160.19 38.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.566 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 2.0 t -116.78 138.77 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.49 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -120.97 135.26 55.25 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.495 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -109.64 140.56 43.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.691 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 55' ' ' TYR . 7.6 mp -110.75 168.08 9.75 Favored 'General case' 1 C--N 1.192 -6.262 0 O-C-N 118.015 -2.928 . . . . 0.0 110.547 -179.604 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -1.14 0.1 Allowed 'General case' 0 C--N 1.27 -2.849 0 O-C-N 121.495 -0.753 . . . . 0.0 111.237 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.681 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 1.2 p90 -177.03 5.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.251 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.35 162.35 33.82 Favored 'General case' 0 C--N 1.276 -2.621 1 O-C-N 115.391 -4.568 . . . . 0.0 111.074 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -114.01 139.37 49.32 Favored 'General case' 1 C--N 1.235 -4.406 0 O-C-N 116.449 -3.907 . . . . 0.0 110.316 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.22 153.08 49.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.739 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -141.02 145.02 35.36 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.23 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 2.2 tt0 -140.75 79.0 1.68 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.108 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 19.9 t80 -99.99 130.69 46.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.555 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.725 ' HG ' ' HE2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -115.42 152.44 32.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.725 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.616 ' OG ' ' N ' ' A' ' 64' ' ' THR . 0.9 OUTLIER -137.12 -151.39 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.616 ' N ' ' OG ' ' A' ' 63' ' ' SER . 10.1 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.579 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.775 ' H8 ' H5'1 ' A' 1318 ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.475 ' H2 ' ' H ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.475 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER -150.13 -171.92 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.428 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 112.5 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.528 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -106.39 -40.89 5.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' LYS . 2.3 m -124.57 147.98 28.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.437 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' VAL . 1.2 tppm? -37.64 118.48 0.88 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.462 ' O ' ' O ' ' A' ' 8' ' ' CYS . 36.5 Cg_endo -69.93 163.31 38.9 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.939 1.76 . . . . 0.0 111.897 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.791 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER 52.2 171.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.839 -179.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.791 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 8.6 t -174.5 60.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.706 ' C ' ' SG ' ' A' ' 11' ' ' CYS . 2.1 t 83.12 -4.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 -176.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.706 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 65.39 11.28 7.22 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 112.892 -1.958 . . . . 0.0 111.821 177.416 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' HD2' ' CG1' ' A' ' 10' ' ' VAL . 43.2 mtpt -71.01 -2.88 16.88 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.879 0.847 . . . . 0.0 108.754 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -142.65 8.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 114.043 -1.435 . . . . 0.0 108.933 179.227 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.673 ' C ' ' H ' ' A' ' 16' ' ' ARG . . . -128.96 63.2 65.88 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.989 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.629 ' O ' ' N ' ' A' ' 17' ' ' ASP . 7.3 Cg_endo -54.32 3.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.559 2.173 . . . . 0.0 111.618 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.673 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -11.99 -53.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.792 -179.725 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.629 ' N ' ' O ' ' A' ' 15' ' ' PRO . 25.8 t0 -83.29 108.73 16.7 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.797 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.636 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -140.17 160.26 40.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.156 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.604 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 5.8 ttp85 -141.05 161.62 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.451 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.13 127.5 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.738 ' HZ2' HH22 ' A' ' 26' ' ' ARG . 6.7 ttmt -129.81 99.76 5.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 61.65 -119.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -95.02 -5.44 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.298 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.32 159.45 16.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 0.0 110.928 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 9.7 mp -109.32 138.5 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.738 HH22 ' HZ2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -108.92 124.75 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.888 -179.338 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -111.24 158.56 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.338 179.096 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.604 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 31.9 m-85 -117.48 159.73 22.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.607 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.661 HD21 ' C ' ' A' ' 48' ' ' GLY . 10.0 m-80 -88.46 4.59 45.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.61 ' HA ' ' SG ' ' A' ' 11' ' ' CYS . 3.4 mpp? -150.59 119.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.136 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 m -43.07 169.26 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.969 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 2.4 tmtp? -59.76 -41.1 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 110.27 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -65.65 -66.35 0.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.341 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.684 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.21 -27.75 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.816 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.685 ' CD1' ' N6 ' ' A' 1318 ' ' ATP . 4.3 t80 -54.57 -47.88 72.75 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 5.7 m-80 -65.87 -43.44 88.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.024 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -31.03 71.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.843 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.8 p -59.12 -29.36 67.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.43 HG21 HD12 ' A' ' 39' ' ' ILE . 13.8 mm -65.64 -29.36 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.4 -71.27 0.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.142 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -69.17 -52.97 22.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.063 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.649 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.27 -45.92 89.1 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.674 ' N ' ' O ' ' A' ' 38' ' ' SER . 6.1 t70 60.06 -56.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 0.0 110.6 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.649 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -175.4 41.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.606 ' C ' ' H ' ' A' ' 47' ' ' HIS . 8.3 m -115.51 -69.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.663 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 10.5 m-85 -66.11 14.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.606 ' H ' ' C ' ' A' ' 45' ' ' THR . 1.3 m80 -66.79 108.53 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.661 ' C ' HD21 ' A' ' 29' ' ' ASN . . . -172.27 151.66 15.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.788 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -140.34 160.16 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.385 179.747 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.502 ' CG1' ' HE1' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -119.64 146.48 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 -179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.52 ' OD1' ' CD ' ' A' ' 60' ' ' GLU . 1.8 m-20 -128.24 135.71 50.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.638 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.502 ' HE1' ' CG1' ' A' ' 50' ' ' VAL . 15.6 m95 -110.12 140.3 44.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.101 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' A' ' 55' ' ' TYR . 5.5 mp -109.25 78.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.819 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.6 ptt? 38.26 9.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.153 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.719 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER 175.92 -20.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.456 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.51 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -109.42 159.49 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.62 -179.604 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.05 136.15 49.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.06 160.35 39.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -124.07 143.97 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.623 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 3.8 pt-20 -140.4 78.35 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.964 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -61.6 -9.83 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.448 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.51 ' O ' ' OG ' ' A' ' 62' ' ' SER . 0.1 OUTLIER 63.25 101.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.481 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.551 ' O ' ' OG1' ' A' ' 64' ' ' THR . 0.1 OUTLIER 179.67 122.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 63' ' ' SER . 99.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.685 ' N6 ' ' CD1' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 3' ' ' PHE . 0.1 OUTLIER -115.54 137.59 51.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' A' ' 2' ' ' SER . 12.7 m-85 42.17 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.441 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.36 22.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.536 ' O ' ' O ' ' A' ' 6' ' ' LYS . 11.7 p -116.63 54.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.776 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.589 ' O ' ' O ' ' A' ' 7' ' ' PRO . 6.6 pttt 29.55 95.53 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.402 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.589 ' O ' ' O ' ' A' ' 6' ' ' LYS . 50.1 Cg_exo -49.9 -141.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.816 2.344 . . . . 0.0 112.238 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.645 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 1.9 t -34.75 162.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.281 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.645 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 p 174.06 6.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.99 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.79 ' O ' ' N ' ' A' ' 14' ' ' ALA . 2.3 t -123.49 -4.34 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.677 ' C ' ' H ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -42.66 -44.86 4.46 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.295 -179.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -53.64 -8.52 0.16 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.73 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -155.94 19.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 113.56 -1.654 . . . . 0.0 107.816 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.79 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 13.06 -73.71 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 114.443 -1.253 . . . . 0.0 112.642 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.638 ' N ' ' O ' ' A' ' 13' ' ' VAL . 76.3 Cg_exo -19.33 74.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.897 2.398 . . . . 0.0 112.788 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.731 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -118.36 -80.18 0.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.911 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 32' ' ' LYS . 1.4 m-20 -55.07 126.53 25.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.324 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -140.15 164.1 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.12 168.7 19.73 Favored 'General case' 0 C--N 1.281 -2.372 3 O-C-N 108.88 -8.637 . . . . 0.0 110.241 -178.17 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.61 133.78 60.91 Favored 'Isoleucine or valine' 1 C--N 1.092 -10.627 2 O-C-N 112.764 -6.21 . . . . 0.0 110.546 -178.821 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.649 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -138.58 114.62 10.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.584 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.466 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 47.5 t-20 48.26 -127.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.466 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 7.0 mtm180 -88.86 2.68 53.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 1.6 m-70 -116.38 156.97 25.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.102 0.477 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 4.4 mm? -109.4 136.49 48.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.649 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -107.06 118.19 36.04 Favored 'General case' 0 C--N 1.281 -2.385 0 O-C-N 121.029 -1.044 . . . . 0.0 111.162 -179.044 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 3.3 mt -108.62 154.9 9.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.624 -1.297 . . . . 0.0 109.62 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE1' ' C8 ' ' A' 1318 ' ' ATP . 37.5 m-85 -111.63 156.52 21.69 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.921 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 30' ' ' MET . 61.8 m-20 -96.28 52.11 1.24 Allowed 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.646 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.578 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 2.2 mtp 157.23 141.23 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.607 0.718 . . . . 0.0 110.566 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.673 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -66.47 157.87 30.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.008 -179.718 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.2 ttpp -44.74 -36.84 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.512 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.9 m -65.49 -70.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.673 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.85 -28.74 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.738 ' HB2' HN61 ' A' 1318 ' ' ATP . 26.7 t80 -62.9 -46.35 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.0 m-80 -66.21 -42.06 89.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.276 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -34.23 77.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.827 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.7 p -58.47 -29.8 66.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.21 -30.83 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -71.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.316 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.8 m -69.23 -52.67 25.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.352 -1.294 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.689 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.58 -44.03 93.48 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.347 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.1 t0 60.85 -51.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.03 0.443 . . . . 0.0 110.032 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.689 ' N ' ' O ' ' A' ' 42' ' ' GLY . 16.4 t70 -164.36 55.54 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.202 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.652 ' C ' ' H ' ' A' ' 47' ' ' HIS . 10.6 p -159.35 177.2 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.433 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.525 ' CD1' ' SD ' ' A' ' 30' ' ' MET . 0.1 OUTLIER 62.65 -11.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.762 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.652 ' H ' ' C ' ' A' ' 45' ' ' THR . 0.2 OUTLIER -68.07 102.67 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.584 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.532 ' H ' ' H2 ' ' A' 1318 ' ' ATP . . . -149.22 156.82 26.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.578 ' O ' ' OE2' ' A' ' 60' ' ' GLU . 25.5 p-80 -140.55 160.49 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.212 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.88 138.39 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' OD2' ' OE2' ' A' ' 60' ' ' GLU . 1.9 m-20 -121.96 134.56 54.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.943 0.401 . . . . 0.0 111.008 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -109.48 137.59 47.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.654 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -108.53 161.26 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 0.0 110.53 -179.368 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.425 ' H ' ' HG ' ' A' ' 53' ' ' LEU . 22.8 ptm -68.54 25.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.029 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.654 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -171.24 -34.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.416 -179.324 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.501 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 23.2 p -139.3 160.84 38.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 15.5 p-10 -109.7 150.0 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.63 154.87 51.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -140.54 144.52 35.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.236 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -139.72 75.88 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.052 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -88.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.435 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.8 t -129.52 -83.48 0.56 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.532 ' OG ' ' N ' ' A' ' 64' ' ' THR . 1.0 OUTLIER -108.62 -60.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.546 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.532 ' N ' ' OG ' ' A' ' 63' ' ' SER . 5.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.738 HN61 ' HB2' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -32.46 146.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 110.571 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.644 ' N ' ' CD1' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -152.22 63.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.396 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -82.22 93.99 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 m -147.18 82.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.302 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.752 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 11.5 mmtt -131.73 29.78 0.18 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.332 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.752 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 23.8 Cg_endo -63.99 145.99 90.59 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.382 2.054 . . . . 0.0 111.486 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.665 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -96.55 -144.09 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.33 -179.461 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.665 ' CG1' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER 161.31 51.84 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.662 ' C ' ' SG ' ' A' ' 11' ' ' CYS . 2.1 t 80.65 1.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 114.038 -1.437 . . . . 0.0 108.407 -177.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.662 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 48.5 37.36 8.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.478 179.345 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -61.0 -5.58 1.46 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.597 ' H ' ' C ' ' A' ' 11' ' ' CYS . 12.6 p -157.1 15.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 113.934 -1.484 . . . . 0.0 109.469 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.702 ' O ' ' N ' ' A' ' 16' ' ' ARG . . . -127.86 40.27 0.57 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.021 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 14' ' ' ALA . 81.9 Cg_exo -31.95 80.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.238 1.959 . . . . 0.0 111.185 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.0 OUTLIER -91.89 -48.67 6.65 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.77 -178.367 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -90.62 108.24 19.68 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.234 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.509 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 7.4 p90 -140.89 161.31 38.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.493 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 5.8 ttp85 -140.1 161.0 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 72.4 t -109.07 119.45 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.771 ' HZ1' HH21 ' A' ' 26' ' ' ARG . 2.3 tppt? -121.57 129.09 52.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.3 m120 38.44 -121.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -95.83 3.3 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 21' ' ' LYS . 4.3 m170 -117.6 156.37 28.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.099 0.476 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 10.2 mp -109.26 136.51 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.771 HH21 ' HZ1' ' A' ' 21' ' ' LYS . 9.0 ttp85 -109.01 125.51 52.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.9 mt -111.01 157.77 11.77 Favored 'Isoleucine or valine' 1 C--N 1.221 -4.991 0 O-C-N 117.513 -3.242 . . . . 0.0 109.594 179.572 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.682 ' OH ' ' NH1' ' A' ' 26' ' ' ARG . 56.7 m-85 -116.02 127.39 54.87 Favored 'General case' 1 C--N 1.223 -4.919 0 O-C-N 119.828 -1.795 . . . . 0.0 109.661 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 30' ' ' MET . 42.1 t30 -61.8 -4.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.557 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.607 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 3.1 mtt -153.92 119.3 5.15 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.538 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.622 ' O ' ' N ' ' A' ' 35' ' ' PHE . 8.0 m -67.21 166.14 14.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.646 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.675 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttp -37.91 -48.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.29 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 m -66.09 -63.34 1.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.703 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -59.65 -28.27 67.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.982 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.622 ' N ' ' O ' ' A' ' 31' ' ' CYS . 79.9 t80 -65.06 -46.12 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.675 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.1 m-80 -65.82 -39.24 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.9 -31.83 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.738 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.637 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.4 p -64.27 -28.63 69.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.016 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.3 -31.55 54.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -79.05 -68.97 0.61 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.425 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -67.89 -51.1 51.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.988 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.703 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.53 -47.65 75.87 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.507 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 31.3 t0 53.75 -67.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 0.0 111.031 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.703 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.7 t0 -121.18 50.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.688 ' C ' ' H ' ' A' ' 47' ' ' HIS . 75.8 m -175.96 11.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' C ' ' CE ' ' A' ' 30' ' ' MET . 21.6 p90 -62.8 19.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.911 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.688 ' H ' ' C ' ' A' ' 45' ' ' THR . 3.1 m-70 -120.04 159.57 24.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 111.208 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.88 120.04 2.13 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.598 ' HD1' HO2' ' A' 1318 ' ' ATP . 3.8 p-80 -130.79 157.91 41.56 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.996 0.427 . . . . 0.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.7 t -113.41 131.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 116.49 -3.881 . . . . 0.0 110.339 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -115.02 136.46 53.1 Favored 'General case' 1 C--N 1.227 -4.718 0 O-C-N 117.086 -3.508 . . . . 0.0 110.754 179.143 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -109.41 146.7 34.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.222 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 55' ' ' TYR . 6.0 mp -112.35 171.2 7.66 Favored 'General case' 1 C--N 1.156 -7.809 0 O-C-N 116.536 -3.852 . . . . 0.0 110.472 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -61.37 -1.08 0.46 Allowed 'General case' 0 C--N 1.263 -3.167 0 O-C-N 120.684 -1.26 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.46 ' H ' ' C ' ' A' ' 53' ' ' LEU . 1.1 p90 -174.37 2.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.24 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.27 162.29 33.92 Favored 'General case' 0 C--N 1.252 -3.635 1 O-C-N 113.597 -5.69 . . . . 0.0 110.999 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 155.29 25.4 Favored 'General case' 1 C--N 1.222 -4.952 1 O-C-N 113.856 -5.527 . . . . 0.0 110.29 179.838 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -138.59 154.63 48.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -140.98 134.45 29.91 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -140.91 78.38 1.64 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.019 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -67.93 -166.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.071 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.554 ' OG ' ' O ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -128.08 121.52 29.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.867 0.365 . . . . 0.0 110.749 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.41 -91.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 179.873 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.841 ' H8 ' H5'1 ' A' 1318 ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -75.92 119.78 20.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -124.43 25.64 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.418 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -91.23 118.15 30.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.413 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.559 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 5.9 m -43.15 159.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.736 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 1.6 pttt 90.17 32.79 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.133 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 25.4 Cg_endo -63.24 -32.04 73.8 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.57 2.18 . . . . 0.0 111.939 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.834 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -149.35 175.81 11.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.377 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.834 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 t 170.71 63.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.699 ' C ' ' SG ' ' A' ' 11' ' ' CYS . 2.1 t 82.05 -7.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.699 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 62.64 36.27 13.7 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 113.535 -1.666 . . . . 0.0 111.983 177.455 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' CG ' ' HB ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -81.2 -6.75 59.2 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.181 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 m -148.28 15.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.903 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' A' ' 16' ' ' ARG . . . -115.22 60.54 1.37 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.201 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -58.1 62.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.454 2.103 . . . . 0.0 110.34 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -87.35 -50.83 6.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.419 -178.592 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -82.98 106.5 14.86 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -140.35 161.11 38.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -140.37 167.98 20.88 Favored 'General case' 1 C--N 1.194 -6.19 3 O-C-N 107.511 -9.493 . . . . 0.0 110.628 -179.198 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 t -116.72 119.29 61.53 Favored 'Isoleucine or valine' 1 C--N 1.162 -7.584 3 O-C-N 108.799 -8.688 . . . . 0.0 110.41 -179.158 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.677 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 7.0 tptm -120.77 125.69 48.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.256 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 40.93 -120.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 4.46 45.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.842 0.353 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -109.43 157.66 18.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.498 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 11.6 mt -109.3 136.17 49.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.677 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -111.15 122.62 48.36 Favored 'General case' 0 C--N 1.37 1.488 0 O-C-N 120.84 -1.163 . . . . 0.0 111.135 -178.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.545 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.5 mt -109.38 159.64 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.9 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.545 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 45.7 m-85 -118.84 158.94 24.66 Favored 'General case' 0 C--N 1.245 -3.942 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.646 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.555 HD21 ' CA ' ' A' ' 48' ' ' GLY . 18.2 m-20 -84.8 -1.38 56.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.827 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.654 ' SD ' ' O ' ' A' ' 46' ' ' TYR . 3.8 mpp? -147.43 131.59 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.516 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.633 ' O ' ' N ' ' A' ' 35' ' ' PHE . 2.9 m -57.75 162.61 3.02 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.63 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -46.65 -52.0 14.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.384 . . . . 0.0 111.216 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 m -60.85 -67.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.509 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.29 -27.68 56.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.291 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.748 ' CG ' ' N6 ' ' A' 1318 ' ' ATP . 2.9 t80 -62.13 -45.88 91.51 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.63 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -65.66 -41.55 92.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.852 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' SER . 1.5 t-20 -66.74 -34.52 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.919 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.642 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -59.41 -32.28 70.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.974 179.502 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mt -65.77 -30.72 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.52 -70.22 0.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.835 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.8 m -68.44 -52.19 35.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.135 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.642 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.23 -41.75 96.65 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.642 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.9 t0 61.99 -59.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.0 t0 -178.2 43.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 t -121.02 -38.65 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.004 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.654 ' O ' ' SD ' ' A' ' 30' ' ' MET . 1.0 OUTLIER -106.31 29.2 7.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.982 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -87.62 94.68 9.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.94 0.4 . . . . 0.0 110.142 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.555 ' CA ' HD21 ' A' ' 29' ' ' ASN . . . -146.58 159.36 27.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.633 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.73 156.99 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.422 . . . . 0.0 111.024 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.604 ' CG2' ' HG2' ' A' ' 59' ' ' LYS . 2.8 t -118.7 123.18 71.12 Favored 'Isoleucine or valine' 1 C--N 1.231 -4.558 3 O-C-N 107.749 -9.344 . . . . 0.0 110.528 179.851 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 1.9 m-20 -107.8 137.33 46.0 Favored 'General case' 1 C--N 1.148 -8.169 3 O-C-N 109.126 -8.484 . . . . 0.0 110.429 179.276 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.461 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -110.29 139.01 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.18 179.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.656 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -107.82 158.61 17.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -70.64 26.19 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.164 0.507 . . . . 0.0 109.811 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.656 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -162.13 -42.11 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.915 -179.488 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 1.8 t -140.88 160.29 40.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.721 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -113.43 158.19 20.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.512 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.08 155.08 47.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.611 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.604 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 4.9 mtmt -133.39 137.85 46.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.5 pm0 -140.56 77.82 1.62 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.013 178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -36.77 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.281 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.557 ' OG ' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -136.44 -167.26 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.324 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.557 ' N ' ' OG ' ' A' ' 62' ' ' SER . 70.1 p -139.85 39.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.756 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.748 ' N6 ' ' CG ' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 172.6 86.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.311 . . . . 0.0 110.608 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.97 130.38 45.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.435 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -105.51 141.27 37.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -108.82 -4.4 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.558 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 10.2 mtpt -51.0 -65.35 0.94 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 6' ' ' LYS . 17.1 Cg_endo -59.33 133.0 49.63 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.837 2.358 . . . . 0.0 112.175 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -65.01 -155.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.694 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.635 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 2.8 p 173.66 19.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.228 0.537 . . . . 0.0 109.67 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.821 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.6 OUTLIER -126.37 -7.1 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.203 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' C ' ' H ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.81 -32.28 5.88 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.416 0.626 . . . . 0.0 109.819 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -65.04 -4.75 5.08 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.737 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -161.56 24.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 113.134 -1.848 . . . . 0.0 107.702 179.792 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.821 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 15.9 -73.95 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 114.002 -1.454 . . . . 0.0 113.611 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.602 ' CD ' ' O ' ' A' ' 13' ' ' VAL . 92.0 Cg_exo -17.14 74.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.278 0 C-N-CA 123.006 2.47 . . . . 0.0 112.845 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.715 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.9 tpp180 -123.75 -71.99 0.7 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.188 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.569 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.6 p-10 -66.08 130.7 44.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.454 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 6.4 p-90 -140.86 160.05 40.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.635 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -140.68 160.89 39.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.475 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 32.2 t -108.66 112.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.131 0.491 . . . . 0.0 110.268 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -117.31 114.28 23.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 49.61 -130.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -88.25 1.24 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.498 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.665 ' CG ' HD12 ' A' ' 53' ' ' LEU . 5.0 m170 -111.03 161.26 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -108.16 161.05 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.241 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 2.8 ttt180 -134.07 117.87 17.11 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.177 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 28' ' ' TYR . 2.6 mp -111.68 155.36 13.05 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.385 0 O-C-N 117.602 -3.186 . . . . 0.0 109.537 179.166 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.635 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.8 m-85 -118.42 154.35 32.59 Favored 'General case' 1 C--N 1.213 -5.336 0 O-C-N 120.508 -1.37 . . . . 0.0 110.986 -178.682 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 30' ' ' MET . 36.8 m-80 -89.54 44.02 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.482 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 3.2 mtm 159.71 139.59 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.995 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -60.22 171.36 1.04 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.722 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.513 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.3 tptt -59.21 -36.09 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.24 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.462 ' HB ' ' SG ' ' A' ' 8' ' ' CYS . 9.2 m -65.53 -66.41 0.55 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.72 -179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.695 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.4 p -55.14 -26.85 41.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.525 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' O ' ' OG ' ' A' ' 38' ' ' SER . 23.5 t80 -55.3 -48.67 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 0.0 109.886 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.6 m-80 -65.29 -42.15 93.41 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -31.87 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.742 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 34' ' ' CYS . 28.6 p -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.983 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mt -65.03 -29.39 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -70.36 0.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.215 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 m -68.18 -50.94 51.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.967 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.684 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.4 -47.56 77.81 Favored Glycine 0 C--N 1.33 0.227 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.572 ' OD1' ' OD1' ' A' ' 44' ' ' ASP . 9.7 t70 58.14 -57.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 0.0 110.977 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.684 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.6 p-10 179.97 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 t -142.33 0.41 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.03 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.92 25.89 3.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.986 0.422 . . . . 0.0 110.233 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -96.43 134.99 38.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.626 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 169.55 154.44 9.2 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.895 ' HD1' HO2' ' A' 1318 ' ' ATP . 15.9 p-80 -140.37 159.1 42.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.136 0.494 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -113.96 128.62 70.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 116.542 -3.849 . . . . 0.0 109.975 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 2.4 m-20 -123.88 142.17 51.38 Favored 'General case' 1 C--N 1.218 -5.14 0 O-C-N 118.488 -2.632 . . . . 0.0 110.631 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -109.71 148.94 30.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.025 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.665 HD12 ' CG ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -112.79 168.85 9.34 Favored 'General case' 1 C--N 1.155 -7.88 0 O-C-N 118.235 -2.791 . . . . 0.0 110.084 -179.647 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -66.59 4.51 0.76 Allowed 'General case' 0 C--N 1.285 -2.201 0 O-C-N 120.998 -1.064 . . . . 0.0 110.966 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.628 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.2 OUTLIER -173.16 -4.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.962 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.628 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -136.01 161.03 36.82 Favored 'General case' 0 C--N 1.249 -3.779 1 O-C-N 114.813 -4.93 . . . . 0.0 110.986 179.758 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 58' ' ' ALA . 2.5 t0 -112.68 144.83 41.53 Favored 'General case' 0 C--N 1.251 -3.679 1 O-C-N 114.299 -5.25 . . . . 0.0 109.993 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.667 ' N ' ' OD1' ' A' ' 57' ' ' ASP . . . -124.95 153.61 42.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.42 142.44 35.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.057 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.539 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 4.4 tt0 -139.95 78.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.459 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -88.58 -34.7 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.275 179.792 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 78.2 164.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.76 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.1 t -159.5 162.53 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.667 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.874 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.895 HO2' ' HD1' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -101.75 88.11 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 3' ' ' PHE . 29.3 p90 -136.97 129.22 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.794 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.47 ' O ' ' CG1' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -141.57 -60.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.476 179.76 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 4' ' ' ARG . 19.0 m -159.08 157.76 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.524 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -156.96 78.8 3.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.547 ' O ' ' O ' ' A' ' 8' ' ' CYS . 59.0 Cg_exo -46.99 -63.75 0.3 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.814 2.343 . . . . 0.0 112.011 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.806 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 2.2 t -40.64 171.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.374 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.806 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 p 162.94 61.08 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.706 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.693 ' C ' ' SG ' ' A' ' 11' ' ' CYS . 2.2 t 84.74 -7.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.693 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 59.15 19.37 7.34 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 113.083 -1.871 . . . . 0.0 111.872 177.251 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -81.74 -0.92 45.2 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.56 13.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 113.998 -1.455 . . . . 0.0 108.897 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.715 ' O ' ' N ' ' A' ' 16' ' ' ARG . . . -125.25 112.12 26.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.025 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.471 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 77.4 Cg_exo -43.04 78.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 121.892 1.728 . . . . 0.0 111.095 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.715 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -62.62 -149.9 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.828 -179.387 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.599 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -87.41 139.9 30.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 p90 -140.2 157.69 45.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.951 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -141.45 161.93 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.296 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 8.1 t -108.01 116.57 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.047 0.451 . . . . 0.0 110.716 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.798 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 5.4 ttmt -119.33 109.99 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.541 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.694 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.7 OUTLIER 54.04 -131.69 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.511 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.654 ' C ' ' HD1' ' A' ' 24' ' ' HIS . 21.2 mmt-85 -88.03 1.36 54.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.574 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.76 ' CE1' ' CD2' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -109.48 159.57 16.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' N ' HD22 ' A' ' 25' ' ' LEU . 3.6 mm? -109.08 138.24 45.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.798 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -109.2 116.92 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.321 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.83 153.08 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.958 178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' CE1' ' C8 ' ' A' 1318 ' ' ATP . 30.8 m-85 -110.15 150.53 28.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.676 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -69.61 -17.54 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.624 -179.464 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.602 ' HA ' ' SG ' ' A' ' 11' ' ' CYS . 12.2 mtm -145.79 156.45 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' N ' ' HB3' ' A' ' 16' ' ' ARG . 3.6 m -65.28 172.78 2.9 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.616 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -60.13 -44.04 95.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 m -65.89 -68.72 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.093 0.473 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -47.96 -28.1 2.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.467 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.817 ' HB2' HN61 ' A' 1318 ' ' ATP . 20.2 t80 -63.44 -45.94 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.0 m-80 -65.51 -39.18 91.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -31.74 72.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.467 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.629 ' O ' ' CA ' ' A' ' 42' ' ' GLY . 1.0 OUTLIER -60.31 -29.91 69.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -30.66 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -78.74 -70.74 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.205 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 m -68.8 -52.03 34.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.078 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.683 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.24 -45.52 90.85 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.9 t0 60.29 -55.89 0.08 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.96 0.409 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.683 ' N ' ' O ' ' A' ' 42' ' ' GLY . 17.9 p-10 -155.26 57.16 0.65 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.602 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.659 ' C ' ' H ' ' A' ' 47' ' ' HIS . 4.4 m -164.46 175.44 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.592 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 50.8 m-85 62.39 -16.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.956 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.659 ' H ' ' C ' ' A' ' 45' ' ' THR . 6.6 p-80 -61.52 100.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.891 0.377 . . . . 0.0 110.461 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.519 ' HA2' HO2' ' A' 1318 ' ' ATP . . . -169.92 160.47 33.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.659 ' CE1' " H3'" ' A' 1318 ' ' ATP . 14.6 p-80 -139.77 160.17 40.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.81 136.95 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.214 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.89 131.81 54.23 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.471 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.36 140.44 43.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.988 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.76 ' CD2' ' CE1' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -111.44 155.71 22.76 Favored 'General case' 1 C--N 1.19 -6.356 0 O-C-N 118.966 -2.333 . . . . 0.0 110.479 -179.191 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -10.12 0.06 Allowed 'General case' 0 C--N 1.26 -3.31 0 O-C-N 120.826 -1.171 . . . . 0.0 110.735 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.614 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.3 OUTLIER -166.21 8.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.237 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.614 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -135.63 158.02 45.42 Favored 'General case' 0 C--N 1.269 -2.923 1 O-C-N 115.925 -4.235 . . . . 0.0 110.882 179.305 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -121.17 139.73 52.96 Favored 'General case' 1 C--N 1.241 -4.116 0 O-C-N 116.658 -3.776 . . . . 0.0 110.489 179.772 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.71 155.33 49.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -140.47 141.2 35.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.676 ' OE2' ' N ' ' A' ' 62' ' ' SER . 3.6 tp10 -140.13 79.16 1.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.081 0.467 . . . . 0.0 109.788 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.34 -21.3 27.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.659 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.676 ' N ' ' OE2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER 69.6 -156.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.289 -179.769 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 58.81 -88.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.7 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.817 HN61 ' HB2' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -117.94 130.08 56.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' ARG . 7.5 t80 -160.98 95.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -49.92 -177.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' A' ' 6' ' ' LYS . 4.4 m -117.9 -5.46 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.313 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 5' ' ' VAL . 9.8 mmtp 31.64 82.72 0.21 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -48.43 121.38 6.23 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.748 2.299 . . . . 0.0 111.895 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.74 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 37.5 t -89.55 -116.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.74 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 94.79 39.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 -178.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.475 ' CG2' ' C ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.96 -11.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.369 -179.125 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.71 ' C ' ' H ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -45.09 -22.68 0.11 Allowed 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.696 -179.474 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 10' ' ' VAL . 17.0 mtmt -47.46 -12.88 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.71 ' H ' ' C ' ' A' ' 11' ' ' CYS . 28.3 m -142.04 10.91 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.106 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.676 ' O ' ' SG ' ' A' ' 11' ' ' CYS . . . -139.2 151.7 68.07 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.929 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.51 ' CG ' ' H ' ' A' ' 16' ' ' ARG . 65.8 Cg_endo -93.85 -57.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.486 1.045 0 C-N-CA 122.884 2.389 . . . . 0.0 110.854 177.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.734 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER 70.66 -69.37 0.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.414 179.259 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 18.4 p-10 -85.95 125.35 33.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.709 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.561 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -141.42 161.84 36.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.102 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 7.9 ttp85 -140.7 160.43 40.05 Favored 'General case' 1 C--O 1.107 -6.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.96 -178.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 94.9 t -109.3 110.75 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.779 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.1 OUTLIER -109.78 117.31 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.662 -179.773 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 1.4 m-20 46.41 -125.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' C ' ' HD1' ' A' ' 24' ' ' HIS . 3.7 tpt180 -90.39 -0.25 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.355 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.872 ' N ' ' HD1' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -111.17 157.14 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.4 mp -109.76 138.98 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.779 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -109.36 124.16 50.52 Favored 'General case' 1 C--O 1.093 -7.133 0 CA-C-O 124.337 2.018 . . . . 0.0 110.86 -179.445 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mt -110.8 151.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 O-C-N 120.133 -1.604 . . . . 0.0 109.843 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.529 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.1 m-85 -117.84 160.75 20.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.939 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.64 ' C ' ' SD ' ' A' ' 30' ' ' MET . 7.3 m-80 -91.74 -18.12 24.39 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.363 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.64 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 2.1 mpp? -134.9 136.43 42.35 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.179 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.2 m -61.03 176.42 0.42 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.562 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 8.9 tttp -56.91 -35.27 68.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -70.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.679 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 1.2 p -61.19 -27.58 68.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.595 ' O ' ' OG ' ' A' ' 38' ' ' SER . 5.5 t80 -54.08 -49.31 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.37 0.605 . . . . 0.0 109.56 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.0 m-80 -66.76 -38.94 87.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.208 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.8 t-20 -65.72 -36.13 82.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.86 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.66 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -57.16 -29.2 63.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 7.0 mm -65.64 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -79.28 -64.69 1.13 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.36 178.222 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -66.87 -52.34 44.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -64.92 -48.83 67.03 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 44' ' ' ASP . 38.0 t70 56.2 -62.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.533 -0.333 . . . . 0.0 111.279 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.4 t70 -18.64 -73.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.11 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' A' ' 46' ' ' TYR . 6.5 p -140.53 -82.27 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.077 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.603 ' O ' ' HB2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -150.21 -30.75 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.774 179.333 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.603 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 8.9 m-70 126.63 -137.76 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.43 1.081 . . . . 0.0 110.539 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.627 ' HA2' HO2' ' A' 1318 ' ' ATP . . . -147.74 161.1 28.49 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.828 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -135.36 159.54 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.97 0.414 . . . . 0.0 110.739 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -112.08 140.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.736 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -122.56 134.25 54.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.653 179.418 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -109.99 138.95 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.133 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -109.6 77.32 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.023 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.3 ptm 38.18 7.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.358 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER 178.03 -21.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.329 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.704 ' OG1' ' CZ ' ' A' ' 55' ' ' TYR . 23.1 m -111.8 160.09 17.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 56' ' ' THR . 4.9 t70 -131.44 137.7 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.524 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.06 160.23 40.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.336 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -116.75 140.61 49.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.657 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 6.1 pt-20 -140.73 79.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.829 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -110.17 -158.86 0.66 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.82 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.7 m -129.37 -72.86 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.576 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.0 p -121.36 -31.97 3.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.646 -179.895 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1318 ' ' ATP . . . . . 0.727 ' H8 ' H5'1 ' A' 1318 ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.895 0.379 . . . . 0.0 110.601 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.676 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.6 p-10 -33.98 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -141.21 157.74 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.204 0.526 . . . . 0.0 111.04 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.2 tpp85 -141.08 165.3 27.93 Favored 'General case' 2 C--O 1.094 -7.096 0 O-C-N 119.645 -1.91 . . . . 0.0 109.826 179.714 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.448 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.2 t -111.95 125.43 69.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 118.095 -2.878 . . . . 0.0 110.645 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.534 ' NZ ' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -118.79 98.2 6.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -179.367 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 21' ' ' LYS . 4.0 t-20 27.45 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.283 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 67.36 -13.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.927 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.602 ' C ' HD22 ' A' ' 25' ' ' LEU . 5.3 m-70 -109.46 155.89 20.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.828 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.602 HD22 ' C ' ' A' ' 24' ' ' HIS . 4.2 mm? -109.94 132.46 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.458 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.534 ' NH2' ' NZ ' ' A' ' 21' ' ' LYS . 1.2 ttp180 -113.49 125.88 54.7 Favored 'General case' 1 C--O 1.098 -6.905 0 CA-C-O 124.418 2.056 . . . . 0.0 111.087 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.1 mp -109.41 164.1 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 120.135 -1.603 . . . . 0.0 109.36 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 49.7 m-85 -120.69 160.36 23.47 Favored 'General case' 1 C--N 1.209 -5.534 0 O-C-N 120.77 -1.206 . . . . 0.0 110.286 -179.482 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.485 ' ND2' ' SD ' ' A' ' 30' ' ' MET . 31.8 t30 -85.87 -14.4 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.751 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.57 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 3.2 mpp? -140.25 138.04 34.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.611 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.747 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.7 m -56.96 171.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -57.12 -42.43 80.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.0 m -65.15 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.747 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.5 p -56.5 -28.97 61.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.179 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 11.0 t80 -59.85 -50.46 73.7 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.3 m-80 -65.24 -40.57 94.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -66.68 -34.14 77.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.49 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.2 p -57.49 -30.73 65.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 39' ' ' ILE . 12.8 mm -66.26 -33.58 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -78.55 -69.82 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.554 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -68.4 -52.61 31.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.024 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.602 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.66 -48.98 62.44 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.665 ' N ' ' O ' ' A' ' 38' ' ' SER . 44.4 t0 . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 120.907 0.384 . . . . 0.0 110.266 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.455 ' CG ' ' O ' ' A' ' 47' ' ' HIS . 20.0 p-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.718 0.294 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.89 152.24 21.34 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.685 ' CD2' ' OE2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -141.16 160.44 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.689 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -123.57 131.5 72.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 116.657 -3.777 . . . . 0.0 110.639 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -111.6 132.16 54.75 Favored 'General case' 1 C--N 1.212 -5.377 0 O-C-N 119.527 -1.983 . . . . 0.0 110.403 178.938 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.556 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -109.41 134.32 51.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.665 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.706 ' N ' HD12 ' A' ' 53' ' ' LEU . 6.7 mp -108.45 159.86 16.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.434 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 6.5 ptt? -71.15 34.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.588 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -169.89 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.649 -179.148 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.51 162.05 36.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.094 0.474 . . . . 0.0 111.504 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD2' ' CZ2' ' A' ' 52' ' ' TRP . 9.9 t0 -109.27 149.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.538 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.9 159.84 41.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.641 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 14.8 mtpp -129.44 141.2 51.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.01 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.685 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 4.3 pt-20 . . . . . 0 C--N 1.326 -0.451 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.296 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.933 0.397 . . . . 0.0 110.343 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.554 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 5.8 m-20 -32.17 131.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.538 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 4.1 p-90 -140.24 157.54 45.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.0 ttp85 -140.85 160.54 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.001 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.4 p -108.98 134.31 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.572 ' CG ' HD22 ' A' ' 22' ' ' ASN . 0.5 OUTLIER -138.89 125.38 20.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.906 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.579 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 3.6 p30 39.15 -114.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.912 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.579 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 5.7 mtp180 -104.12 10.48 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.781 ' ND1' HD13 ' A' ' 53' ' ' LEU . 1.2 m-70 -120.3 156.87 30.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.201 0.524 . . . . 0.0 111.12 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 mm? -109.38 134.38 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.584 ' NH2' ' NE2' ' A' ' 49' ' ' HIS . 22.8 ttt180 -109.3 117.57 34.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.366 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -109.31 154.21 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.512 179.244 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 46.3 m-85 -111.61 160.32 17.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.454 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.465 ' C ' ' CG ' ' A' ' 30' ' ' MET . 43.4 t30 -75.31 -13.66 60.44 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.806 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.465 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 5.5 mtm -154.29 160.22 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.643 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 1.8 m -66.29 177.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.376 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' CB ' ' OD2' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -65.44 -33.71 76.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.021 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 m -66.71 -70.78 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.173 0.511 . . . . 0.0 110.087 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.643 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -44.81 -28.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.309 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -61.51 -48.04 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -65.98 -41.98 90.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.304 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.56 -29.58 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.029 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 p -63.97 -28.67 69.97 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.44 -30.01 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -69.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.473 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.6 m -70.1 -50.93 35.86 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.101 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.624 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.7 -44.63 92.09 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.171 -178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.8 t0 . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.863 0.363 . . . . 0.0 110.795 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.976 0.417 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.24 126.48 0.85 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.692 ' ND1' ' OE1' ' A' ' 60' ' ' GLU . 43.8 p-80 -138.99 150.15 45.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.257 0.551 . . . . 0.0 110.261 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -109.92 146.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.706 -179.53 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 m-20 -133.95 137.82 45.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.891 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.614 ' C ' HD22 ' A' ' 53' ' ' LEU . 6.1 m95 -114.16 141.34 47.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.153 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.781 HD13 ' ND1' ' A' ' 24' ' ' HIS . 2.6 mm? -109.54 77.32 1.05 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.664 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ptt? 28.21 25.74 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.921 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.743 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 174.48 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.303 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.679 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 1.2 m -109.33 155.35 21.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.925 0.393 . . . . 0.0 110.608 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.475 ' N ' ' CG2' ' A' ' 56' ' ' THR . 10.4 p-10 -114.07 139.73 49.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -122.35 156.01 34.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.28 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 66.6 mttt -140.68 135.67 31.87 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.645 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.692 ' OE1' ' ND1' ' A' ' 49' ' ' HIS . 1.5 tm-20 . . . . . 0 C--N 1.324 -0.518 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.363 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.762 0.315 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.511 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 44.6 t0 -37.36 143.21 0.1 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.985 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.52 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 4.6 p90 -140.47 159.79 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.235 0.541 . . . . 0.0 110.941 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.67 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 0.3 OUTLIER -142.44 159.42 42.27 Favored 'General case' 1 C--O 1.07 -8.345 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.051 -178.858 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.9 t -107.24 132.64 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 110.398 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.708 ' NZ ' ' NH1' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -130.66 118.56 21.13 Favored 'General case' 1 C--O 1.137 -4.843 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.298 -179.261 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.551 ' C ' ' H ' ' A' ' 24' ' ' HIS . 2.5 m-20 22.55 88.14 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 126.611 2.444 . . . . 0.0 111.943 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' A' ' 23' ' ' ARG . 0.1 OUTLIER 57.97 -4.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.647 178.763 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.551 ' H ' ' C ' ' A' ' 22' ' ' ASN . 2.2 m-70 -109.74 154.14 23.34 Favored 'General case' 1 C--O 1.078 -7.927 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.745 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mt -110.06 122.13 46.88 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 124.082 0.864 . . . . 0.0 109.433 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.708 ' NH1' ' NZ ' ' A' ' 21' ' ' LYS . 13.7 ttp-105 -102.06 123.67 46.34 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 125.975 2.047 . . . . 0.0 110.46 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 28' ' ' TYR . 1.0 OUTLIER -108.07 163.19 5.83 Favored 'Isoleucine or valine' 1 C--N 1.445 4.749 0 O-C-N 119.815 -1.803 . . . . 0.0 109.448 179.704 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' N ' HG23 ' A' ' 27' ' ' ILE . 55.1 m-85 -124.17 159.51 29.9 Favored 'General case' 1 C--N 1.441 4.582 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.821 -179.178 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -81.91 -8.1 59.65 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 128.835 3.834 . . . . 0.0 110.973 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtm -147.59 148.47 31.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 111.356 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.9 m -65.86 169.34 6.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.4 tttp -54.53 -41.53 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.401 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -55.1 -27.75 47.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 8.7 t80 -57.67 -47.13 83.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.19 -40.65 90.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.8 t30 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.124 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.649 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -56.65 -28.89 61.57 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.64 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -65.26 -29.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.39 -70.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.351 178.339 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.9 m -68.33 -52.12 36.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.006 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.621 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.4 -49.02 63.11 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 38' ' ' SER . 36.8 t0 . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.894 0.378 . . . . 0.0 111.015 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.7 p80 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.899 0.381 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.43 144.24 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.635 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 6.6 p80 -140.45 154.34 46.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.434 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 t -111.48 133.87 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.405 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.619 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -116.57 132.71 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.918 0.39 . . . . 0.0 110.574 179.532 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 140.52 45.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.741 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' A' ' 55' ' ' TYR . 7.5 mp -110.75 169.98 8.4 Favored 'General case' 1 C--N 1.156 -7.833 0 O-C-N 116.795 -3.69 . . . . 0.0 110.406 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 ptm -67.31 2.74 1.5 Allowed 'General case' 0 C--N 1.27 -2.884 0 O-C-N 119.665 -1.897 . . . . 0.0 110.702 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 55' ' ' TYR . 4.8 p90 -174.16 7.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.724 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.56 164.95 28.78 Favored 'General case' 1 C--N 1.22 -5.044 1 O-C-N 114.635 -5.041 . . . . 0.0 110.626 -179.855 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -134.96 132.15 38.05 Favored 'General case' 1 C--N 1.242 -4.085 1 O-C-N 114.592 -5.067 . . . . 0.0 110.573 -179.714 . . . . . . . . 5 4 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -119.26 160.01 23.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.541 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -140.46 139.96 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.996 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.635 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' ASP . 10.6 mtp180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.612 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 31.1 m-20 -25.44 134.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.654 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -140.29 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.557 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 26' ' ' ARG . 4.3 ttp85 -141.02 161.28 38.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.669 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.75 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.104 179.723 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.0 ttmt -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' LYS . 81.0 m-20 35.08 -108.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.07 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -118.87 6.71 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.042 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -109.44 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 9.9 mp -109.17 133.28 53.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -107.06 121.38 44.37 Favored 'General case' 0 C--N 1.409 3.191 0 O-C-N 127.694 3.121 . . . . 0.0 111.152 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.7 mt -109.13 160.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.395 2.566 0 O-C-N 119.101 -2.249 . . . . 0.0 109.178 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 53.8 m-85 -120.75 157.85 28.78 Favored 'General case' 1 C--N 1.206 -5.647 0 O-C-N 119.486 -2.009 . . . . 0.0 110.707 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.649 ' O ' ' SD ' ' A' ' 30' ' ' MET . 26.2 m-20 -77.66 -19.14 55.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.021 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.649 ' SD ' ' O ' ' A' ' 29' ' ' ASN . 3.3 mpp? -139.05 147.2 41.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.888 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 4.0 m -65.29 169.44 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.94 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.634 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 8.2 tttt -52.83 -46.25 67.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.6 m -65.15 -69.74 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -51.04 -28.19 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.461 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.403 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 28.5 t80 -59.22 -49.22 78.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.634 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.4 m-80 -66.02 -41.45 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -66.81 -35.38 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.67 179.168 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.66 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -52.95 -31.19 39.11 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 mt -66.18 -30.34 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.4 mttt -78.95 -70.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.46 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -67.9 -52.61 34.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.717 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.587 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.82 -50.7 51.74 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 38' ' ' SER . 62.2 t0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.096 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.73 137.07 3.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.701 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -140.25 159.66 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 110.863 -179.789 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.667 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.0 t -109.75 134.96 50.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 O-C-N 116.357 -3.964 . . . . 0.0 110.672 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -117.05 131.97 56.8 Favored 'General case' 1 C--N 1.198 -6.021 0 O-C-N 118.542 -2.599 . . . . 0.0 109.966 178.872 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 146.15 35.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD11 ' CE1' ' A' ' 24' ' ' HIS . 1.8 mm? -110.33 169.95 8.4 Favored 'General case' 1 C--N 1.163 -7.5 0 O-C-N 117.643 -3.161 . . . . 0.0 109.534 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 13.4 ptt? -79.2 27.14 0.25 Allowed 'General case' 0 C--N 1.274 -2.716 0 O-C-N 120.153 -1.592 . . . . 0.0 109.423 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 54' ' ' MET . 0.3 OUTLIER -178.14 -20.37 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.245 -179.209 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.09 163.01 31.82 Favored 'General case' 0 C--N 1.247 -3.849 1 O-C-N 114.862 -4.899 . . . . 0.0 112.078 -179.225 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -112.73 143.71 43.48 Favored 'General case' 0 C--N 1.25 -3.725 1 O-C-N 114.759 -4.963 . . . . 0.0 109.505 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -138.66 159.69 41.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.616 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.667 ' CG ' HG22 ' A' ' 50' ' ' VAL . 32.1 mtpt -136.27 148.61 48.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.259 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 51' ' ' ASP . 1.3 pt-20 . . . . . 0 C--N 1.246 -3.906 0 O-C-N 121.353 -0.842 . . . . 0.0 110.738 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.648 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 4.4 mtp180 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.827 0.346 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.604 ' OD1' ' N ' ' A' ' 18' ' ' TRP . 52.1 t0 -32.74 143.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.073 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.604 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 17.8 p90 -140.09 158.62 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.067 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.668 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 4.1 ttp85 -140.87 162.95 34.25 Favored 'General case' 1 C--O 1.09 -7.339 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.178 -179.797 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.523 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 52.8 t -108.5 119.91 58.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 O-C-N 123.856 0.722 . . . . 0.0 110.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -109.01 93.78 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 6.1 t30 9.5 94.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.644 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 2.2 tpt180 95.57 -40.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.443 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.541 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 3.7 m-70 -109.48 159.2 17.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 6.9 mp -109.37 134.95 51.19 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.517 ' NH1' ' ND1' ' A' ' 49' ' ' HIS . 10.2 ttm-85 -110.71 123.2 49.57 Favored 'General case' 1 C--O 1.081 -7.806 0 CA-C-O 125.156 2.408 . . . . 0.0 111.519 -178.531 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.3 mp -110.03 154.5 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 119.603 -1.936 . . . . 0.0 108.79 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.668 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 33.3 m-85 -109.83 160.77 16.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.802 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.34 -6.52 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -147.9 142.11 26.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.729 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.9 m -58.86 172.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.056 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.674 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttt -60.22 -40.64 90.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.732 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -63.99 -68.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.043 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.729 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.2 p -54.55 -28.27 44.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' O ' ' OG ' ' A' ' 38' ' ' SER . 12.6 t80 -60.43 -47.23 86.99 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.674 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -65.43 -42.2 92.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.944 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -33.82 76.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.532 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.647 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.8 p -59.67 -29.06 67.8 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.001 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 mm -65.1 -29.88 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -70.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.123 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -68.99 -51.98 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.063 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.57 -45.96 87.08 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 38' ' ' SER . 59.2 t0 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 m170 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.786 0.326 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.12 154.44 25.53 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.62 ' CD2' ' N ' ' A' ' 49' ' ' HIS . 5.1 p80 -140.27 155.61 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.19 124.28 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.176 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 6.4 m-20 -112.16 133.9 54.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.394 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -109.49 137.91 46.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.788 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.578 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -107.89 160.48 15.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.076 -179.543 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' MET . 2.3 ptt? -71.03 32.31 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.776 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -177.34 -31.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.425 -179.293 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.573 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 6.9 m -140.01 160.47 39.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.727 0.299 . . . . 0.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -110.33 145.66 37.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.86 156.07 35.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -140.55 138.98 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 4.0 tt0 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.827 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 17' ' ' ASP . 12.0 mtt180 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.559 ' C ' ' O ' ' A' ' 16' ' ' ARG . 18.5 t70 -25.9 136.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.985 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 15.2 p90 -140.26 157.91 44.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 111.217 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.5 ttp85 -141.13 160.74 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.91 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.488 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 7.3 p -108.56 127.99 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.003 0.43 . . . . 0.0 110.462 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -133.97 101.7 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 61.76 -132.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -0.93 55.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.453 ' ND1' ' HG ' ' A' ' 53' ' ' LEU . 3.8 m-70 -112.73 156.56 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.437 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 2.8 mt -112.51 141.42 46.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.543 HH21 ' CE1' ' A' ' 49' ' ' HIS . 4.3 ttt180 -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.441 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -109.75 156.38 10.6 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.655 0 O-C-N 116.817 -3.677 . . . . 0.0 109.163 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.436 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 35.2 m-85 -114.63 160.62 19.1 Favored 'General case' 1 C--N 1.214 -5.287 0 O-C-N 118.278 -2.764 . . . . 0.0 110.783 -179.211 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.444 ' C ' ' CG ' ' A' ' 30' ' ' MET . 8.3 m120 -76.54 -12.4 60.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.045 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.444 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 4.1 mtm -151.97 154.12 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.126 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.752 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 7.6 m -66.0 176.0 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.192 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.619 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 4.2 tttm -64.6 -40.27 95.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 110.149 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -67.84 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.752 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -54.06 -28.29 37.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.298 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -60.53 -51.41 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.593 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -66.25 -40.42 90.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -65.73 -36.67 84.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.862 179.228 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 34' ' ' CYS . 59.7 p -55.68 -29.96 60.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 39' ' ' ILE . 13.9 mm -65.79 -30.97 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.84 -69.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.179 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 m -68.03 -52.35 36.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.05 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.4 -48.18 71.56 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.2 t70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.869 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.2 m170 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.768 0.318 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.73 137.65 3.73 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.671 ' CE1' ' CD ' ' A' ' 60' ' ' GLU . 41.8 p-80 -141.46 159.5 42.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.278 0.561 . . . . 0.0 111.205 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.498 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.4 t -116.98 148.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 O-C-N 116.369 -3.957 . . . . 0.0 110.396 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 1.7 m-20 -127.31 142.3 51.49 Favored 'General case' 1 C--N 1.212 -5.382 0 O-C-N 117.993 -2.942 . . . . 0.0 110.693 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -111.87 138.77 48.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.767 HD23 ' H ' ' A' ' 54' ' ' MET . 0.4 OUTLIER -112.08 155.76 23.34 Favored 'General case' 1 C--N 1.162 -7.562 0 O-C-N 118.744 -2.473 . . . . 0.0 110.159 -179.665 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.767 ' H ' HD23 ' A' ' 53' ' ' LEU . 5.7 ptt? -53.59 -6.76 0.08 Allowed 'General case' 0 C--N 1.255 -3.519 0 O-C-N 120.387 -1.446 . . . . 0.0 111.043 -178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -166.76 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.687 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -137.57 163.13 31.94 Favored 'General case' 0 C--N 1.254 -3.565 1 O-C-N 115.213 -4.679 . . . . 0.0 111.264 179.542 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.83 130.53 47.06 Favored 'General case' 1 C--N 1.244 -4.01 1 O-C-N 115.486 -4.509 . . . . 0.0 110.156 179.262 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.06 153.69 37.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.498 ' CG ' HG22 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -140.03 141.75 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.482 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.671 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 1.2 pp20? . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.403 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.711 0.291 . . . . 0.0 110.451 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 7.6 t70 -34.82 143.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.64 155.44 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.652 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -141.42 160.51 39.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.476 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 79.9 t -108.87 118.67 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.08 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -125.51 100.66 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.762 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 59.68 -134.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.19 -1.48 40.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.786 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -115.7 160.25 20.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.114 0.483 . . . . 0.0 111.313 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 25' ' ' LEU . 8.3 mp -109.01 161.14 15.44 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 5.4 ttt180 -133.21 119.44 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.123 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.25 146.21 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.605 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.652 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 m-30 -109.3 147.82 32.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.548 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -70.82 -21.03 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.466 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.0 mtm -131.5 147.19 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.779 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 2.3 m -65.01 169.06 5.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -53.24 -41.12 65.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -64.1 -65.94 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.779 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.1 p -60.12 -27.26 66.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' CYS . 4.8 t80 -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -66.15 -42.34 89.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.1 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -67.09 -31.49 72.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.832 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 34' ' ' CYS . 27.3 p -60.19 -29.81 68.94 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.404 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.3 mt -65.99 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -78.55 -70.48 0.49 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.295 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.6 m -68.27 -52.28 35.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.612 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.33 -46.15 87.81 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 38' ' ' SER . 4.2 t0 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.066 0.46 . . . . 0.0 110.391 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.724 0.297 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 125.79 142.63 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.785 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 3.4 p-80 -133.65 159.25 41.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.82 148.48 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.468 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -133.65 139.09 46.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.477 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 6.7 m95 -112.88 143.32 44.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.964 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 55' ' ' TYR . 4.1 mt -109.7 77.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.5 ptt? 37.69 9.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.104 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.741 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER 178.16 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.346 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.712 ' OG1' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -109.33 160.07 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.941 0.401 . . . . 0.0 110.903 -179.549 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -111.2 136.74 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -126.6 160.46 30.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -136.49 139.48 42.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.7 tt0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.805 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' O ' ' C ' ' A' ' 17' ' ' ASP . 6.6 mtt180 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 16' ' ' ARG . 3.7 m-20 -29.62 135.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.278 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -140.23 160.75 39.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.286 0.565 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.662 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 1.6 ttp85 -139.58 159.75 41.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.153 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.45 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.9 113.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.971 0.415 . . . . 0.0 110.103 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.657 ' NZ ' ' NH2' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -109.18 118.99 38.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.016 -179.22 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 42.63 -90.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.241 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 8.0 mtt-85 -123.78 1.04 8.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.651 0.262 . . . . 0.0 111.424 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.469 ' CG ' ' HG ' ' A' ' 53' ' ' LEU . 2.4 m-70 -109.72 159.07 17.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 6.5 mp -109.12 129.79 55.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.657 ' NH2' ' NZ ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -109.15 128.74 55.27 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.326 -178.849 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -109.33 160.36 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.138 179.019 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.662 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 48.3 m-85 -123.03 121.0 35.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.226 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.629 ' C ' ' SD ' ' A' ' 30' ' ' MET . 5.6 m120 -48.96 -8.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.463 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.629 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 5.1 mpp? -155.54 138.83 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.691 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 10.3 m -63.79 172.28 2.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.206 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -54.21 -42.97 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.649 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -65.75 -70.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.747 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.4 p -55.32 -27.0 44.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' O ' ' OG ' ' A' ' 38' ' ' SER . 24.4 t80 -56.98 -49.77 74.71 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.62 -42.58 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.156 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -67.07 -35.2 79.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.555 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 34' ' ' CYS . 90.7 p -56.93 -29.23 62.94 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 39' ' ' ILE . 6.6 mt -65.43 -32.4 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -79.28 -68.43 0.66 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.227 -1.351 . . . . 0.0 109.465 178.16 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -67.63 -51.8 45.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.017 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.617 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -63.67 -49.63 67.51 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' SER . 33.4 t70 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.401 -0.399 . . . . 0.0 111.437 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.693 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.943 0.401 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.458 ' C ' ' OD1' ' A' ' 29' ' ' ASN . . . 149.61 125.24 1.35 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.612 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -141.37 160.49 40.01 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.183 0.516 . . . . 0.0 111.242 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.81 135.42 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 4.8 m-20 -124.01 127.86 48.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.018 0.437 . . . . 0.0 110.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -109.83 130.08 55.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.553 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.651 ' N ' HD12 ' A' ' 53' ' ' LEU . 5.5 mp -107.97 160.65 15.61 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.224 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.8 ptm -71.92 22.94 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.595 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -166.89 -25.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.78 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.54 ' H ' ' HB2' ' A' ' 53' ' ' LEU . 5.6 p -137.09 160.83 37.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.368 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 23.9 p30 -115.87 131.95 56.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.174 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -116.23 142.34 46.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -140.57 136.23 32.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 4.2 tt0 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 121.263 0.554 . . . . 0.0 109.635 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.77 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 8.0 mtp180 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 16' ' ' ARG . 6.9 t70 -32.17 143.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 p90 -140.68 159.71 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.187 0.518 . . . . 0.0 111.501 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -142.83 158.91 43.16 Favored 'General case' 1 C--N 1.429 4.064 0 O-C-N 116.791 -3.693 . . . . 0.0 110.164 179.907 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -105.95 124.25 61.02 Favored 'Isoleucine or valine' 1 C--N 1.139 -8.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.124 -179.963 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.677 ' O ' ' N ' ' A' ' 24' ' ' HIS . 18.6 ttmt -136.2 139.97 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.543 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.668 ' C ' ' H ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER 22.74 83.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.175 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 46.4 2.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.412 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.677 ' N ' ' O ' ' A' ' 21' ' ' LYS . 2.9 m-70 -113.25 157.83 21.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.947 0.404 . . . . 0.0 110.805 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 4.0 mm? -109.09 117.92 35.43 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HG3' ' CG ' ' A' ' 51' ' ' ASP . 2.5 ttp85 -95.25 122.52 38.03 Favored 'General case' 1 C--N 1.167 -7.329 0 O-C-N 117.673 -3.142 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -108.27 165.06 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 3 O-C-N 110.476 -7.64 . . . . 0.0 109.444 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.77 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 54.9 m-85 -119.89 159.88 23.78 Favored 'General case' 1 C--N 1.43 4.082 0 O-C-N 120.524 -1.36 . . . . 0.0 110.772 -178.798 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.419 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 2.7 m120 -87.43 9.77 19.67 Favored 'General case' 1 C--N 1.221 -5.013 1 O-C-N 130.18 4.675 . . . . 0.0 110.959 -179.461 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtm -162.83 142.25 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.696 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.774 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.3 m -64.22 -178.56 0.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.77 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.1 OUTLIER -65.19 -41.88 94.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.814 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 34' ' ' CYS . 1.3 m -65.27 -61.82 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.53 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.4 p -60.2 -28.73 68.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 2.3 t80 -59.87 -45.17 93.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.37 -40.38 89.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.188 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.0 t30 -65.97 -36.49 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.501 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLY . 38.3 p -55.08 -30.31 59.4 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 6.4 mt -66.3 -28.92 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.2 mmmp? -78.44 -68.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.223 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.4 m -67.91 -53.02 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.88 -50.87 50.41 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' SER . 50.4 t0 . . . . . 0 C--N 1.324 -0.533 0 CA-C-O 120.881 0.372 . . . . 0.0 111.276 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.407 ' HB2' ' H ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.407 0.146 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' H ' ' HB2' ' A' ' 47' ' ' HIS . . . -136.56 174.13 21.7 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.258 -178.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.614 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.47 160.91 38.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.506 . . . . 0.0 110.058 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.2 t -114.06 130.81 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.585 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -113.37 127.79 56.25 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.472 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.544 ' CE2' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -109.69 136.24 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.864 179.751 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.581 ' C ' ' H ' ' A' ' 55' ' ' TYR . 4.3 mp -108.51 160.24 16.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.579 ' O ' ' SD ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -72.49 33.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.581 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -172.94 -32.83 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.33 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -140.68 162.39 35.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' OD2' ' CE2' ' A' ' 52' ' ' TRP . 24.1 t0 -109.07 145.3 35.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.122 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -126.71 157.25 39.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.799 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -140.28 138.82 35.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.594 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.992 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.913 0.387 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.642 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 11.8 m-20 -32.03 133.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 p90 -140.95 158.64 43.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.659 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -140.94 161.96 36.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.107 -179.443 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.531 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 2.4 m -108.06 114.83 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.431 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.651 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 2.1 tppt? -118.29 107.57 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.632 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 56.51 -110.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.651 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -107.38 -1.37 21.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.706 -179.725 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.631 ' ND1' ' HG ' ' A' ' 53' ' ' LEU . 3.4 m-70 -109.21 156.87 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 110.99 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.651 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 11.6 ttm-85 -108.72 123.36 48.88 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.011 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -109.23 153.98 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.438 179.383 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.659 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 38.4 m-85 -113.1 150.19 32.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.494 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -75.33 -12.35 60.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.534 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 65.1 mtm -145.47 143.23 29.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.774 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.1 m -64.11 171.82 2.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.709 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.642 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 15.6 tttm -54.96 -47.04 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -61.88 -65.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 8.4 p -59.01 -28.24 66.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.758 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' O ' ' OG ' ' A' ' 38' ' ' SER . 8.5 t80 -58.4 -49.39 77.45 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.09 -43.23 87.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.377 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.4 -31.17 71.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.123 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 34' ' ' CYS . 79.8 p -64.76 -29.73 70.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.258 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 35' ' ' PHE . 2.7 mt -65.97 -34.09 67.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -66.84 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.115 -1.402 . . . . 0.0 109.652 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 m -67.82 -51.76 44.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.27 -52.95 35.96 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 38' ' ' SER . 67.9 t0 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.528 -0.336 . . . . 0.0 111.395 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.431 ' CG ' ' CE ' ' A' ' 30' ' ' MET . 22.7 m-70 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.487 0.184 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -151.88 158.16 27.63 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.04 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.672 ' CE1' ' HG3' ' A' ' 60' ' ' GLU . 4.6 p80 -133.43 161.47 34.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.345 -0.428 . . . . 0.0 110.774 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.44 136.53 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -118.48 144.92 45.66 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 143.97 44.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.631 ' HG ' ' ND1' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -112.67 66.94 0.65 Allowed 'General case' 1 C--N 1.241 -4.114 2 O-C-N 112.447 -6.408 . . . . 0.0 110.873 -179.746 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.651 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER 33.72 38.12 0.02 OUTLIER 'General case' 1 C--N 1.201 -5.891 0 O-C-N 119.828 -1.795 . . . . 0.0 110.359 177.783 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.651 ' CD1' ' O ' ' A' ' 54' ' ' MET . 0.8 OUTLIER 155.02 -37.6 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 O-C-N 124.062 0.852 . . . . 0.0 111.181 -179.701 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -106.75 164.41 12.12 Favored 'General case' 0 C--N 1.272 -2.801 2 O-C-N 112.178 -6.577 . . . . 0.0 110.966 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -119.32 144.86 46.6 Favored 'General case' 1 C--N 1.146 -8.269 0 O-C-N 116.934 -3.604 . . . . 0.0 110.655 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.49 160.66 38.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -135.82 144.44 45.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.672 ' HG3' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.209 0.528 . . . . 0.0 110.372 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.692 ' OD2' ' CD2' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -16.59 135.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.044 -179.145 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -139.89 160.27 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.247 0.546 . . . . 0.0 111.371 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.48 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 3.4 ttp85 -140.81 161.72 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.153 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.48 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.5 p -107.55 130.07 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -137.11 90.13 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.993 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.41 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 40.6 t-20 66.99 -130.12 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.75 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 27.7 mtm180 -87.36 -2.71 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.013 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 7.5 m-70 -108.93 160.6 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.138 0.494 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.5 mp -108.14 161.28 15.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.81 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -138.31 123.72 19.47 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.497 -179.447 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.525 HG23 ' N ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -111.49 165.26 6.73 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.838 0 O-C-N 117.086 -3.508 . . . . 0.0 110.141 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.692 ' CD2' ' OD2' ' A' ' 17' ' ' ASP . 2.7 m-30 -115.03 121.1 42.07 Favored 'General case' 1 C--N 1.211 -5.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.013 179.537 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.442 ' C ' ' CG ' ' A' ' 30' ' ' MET . 18.0 m-20 -38.91 -15.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.424 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.673 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -154.91 146.05 22.77 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.531 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.61 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.9 m -66.06 165.27 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.453 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -55.21 -38.69 68.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.229 179.22 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -67.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.534 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.624 ' O ' ' N ' ' A' ' 38' ' ' SER . 6.0 p -63.09 -27.91 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.61 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 19.9 t80 -57.49 -47.3 82.28 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.7 m-80 -65.41 -42.05 92.96 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.784 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.83 74.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.771 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 34' ' ' CYS . 12.6 p -61.38 -29.76 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.356 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.5 mm -66.45 -29.71 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -69.94 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.38 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 m -68.58 -52.69 28.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.978 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.71 -50.99 50.72 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' SER . 12.1 t70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.754 0.311 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.2 m80 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.867 0.365 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.12 170.99 42.3 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.81 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -140.76 159.07 42.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.408 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.496 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -119.28 140.7 42.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 116.466 -3.896 . . . . 0.0 110.164 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -125.38 140.83 52.46 Favored 'General case' 1 C--N 1.206 -5.635 0 O-C-N 119.061 -2.274 . . . . 0.0 111.27 -179.872 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 144.48 37.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.331 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 24' ' ' HIS . 1.1 tp -112.92 169.52 8.86 Favored 'General case' 1 C--N 1.169 -7.255 0 O-C-N 118.738 -2.476 . . . . 0.0 110.783 -178.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -60.95 -1.07 0.37 Allowed 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.971 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 1.7 p90 -176.23 0.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.195 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.494 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -135.16 160.04 39.64 Favored 'General case' 0 C--N 1.277 -2.546 1 O-C-N 115.393 -4.567 . . . . 0.0 110.895 179.386 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.25 147.36 35.19 Favored 'General case' 0 C--N 1.249 -3.767 1 O-C-N 115.122 -4.736 . . . . 0.0 110.079 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -130.5 154.41 47.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.923 0.392 . . . . 0.0 110.819 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 24.7 mttp -140.45 139.18 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.855 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 14.6 tt0 . . . . . 0 C--N 1.323 -0.582 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.509 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.614 ' N ' ' HG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.132 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -16.61 119.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.716 -179.38 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.531 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -140.99 157.94 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.471 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.7 ttp85 -141.64 161.81 37.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.538 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -106.74 125.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 109.935 -179.701 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 24' ' ' HIS . 5.5 ttmt -128.35 161.2 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.128 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.69 ' C ' ' H ' ' A' ' 24' ' ' HIS . 30.9 m-20 -10.47 91.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.449 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.468 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 7.6 mtm105 46.64 1.35 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.452 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.699 ' N ' ' O ' ' A' ' 21' ' ' LYS . 4.1 m-70 -109.92 162.01 14.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.277 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mp -106.8 160.1 15.74 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.687 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 19.4 ttt85 -136.44 117.03 13.87 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.03 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.57 156.41 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.543 ' O ' ' N ' ' A' ' 30' ' ' MET . 4.9 m-30 -108.44 129.93 55.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.486 ' C ' ' CG ' ' A' ' 30' ' ' MET . 2.6 m120 -42.74 -17.1 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.566 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -157.43 149.74 22.74 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.356 -0.537 . . . . 0.0 111.267 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.614 ' HG ' ' N ' ' A' ' 16' ' ' ARG . 3.6 m -66.46 172.74 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.449 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 7.5 ttpt -58.07 -45.41 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.703 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.97 -67.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -52.8 -27.85 19.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.253 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.579 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -61.62 -45.12 95.41 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.4 m-80 -64.05 -39.65 94.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.737 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.26 -30.39 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.446 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 43' ' ' ASP . 4.9 p -65.03 -29.59 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.021 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.8 mt -66.37 -29.78 47.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -70.75 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.359 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -68.78 -52.68 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.854 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.609 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.42 -48.5 68.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 38' ' ' SER . 5.4 t70 . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 0.0 110.501 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.597 ' ND1' ' N ' ' A' ' 47' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.484 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.8 162.16 34.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.687 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 1.7 p-80 -139.96 160.28 40.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 0.0 110.742 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.484 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -117.56 142.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.009 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -126.97 135.31 50.7 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.023 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.533 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -109.78 139.59 44.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.83 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.593 ' N ' HD12 ' A' ' 53' ' ' LEU . 6.9 mp -112.88 162.24 16.05 Favored 'General case' 1 C--N 1.175 -7.017 0 O-C-N 117.525 -3.234 . . . . 0.0 110.416 -179.706 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -10.29 0.12 Allowed 'General case' 0 C--N 1.247 -3.881 0 O-C-N 120.887 -1.133 . . . . 0.0 110.701 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -169.97 11.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.116 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.65 33.85 Favored 'General case' 0 C--N 1.266 -3.034 1 O-C-N 114.409 -5.182 . . . . 0.0 111.02 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -133.12 129.11 37.48 Favored 'General case' 1 C--N 1.221 -5.021 1 O-C-N 115.536 -4.477 . . . . 0.0 110.214 179.443 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.55 160.29 32.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.33 144.08 49.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.386 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.45 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' CE3' ' A' ' 18' ' ' TRP . 1.5 tmm_? . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.604 0.24 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -71.79 105.65 3.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.364 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.595 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 2.4 p90 -141.72 161.53 37.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.508 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 5.8 ttp85 -140.69 162.2 35.95 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 116.403 -3.936 . . . . 0.0 110.151 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' CD2' ' A' ' 25' ' ' LEU . 43.4 t -110.11 115.6 50.14 Favored 'Isoleucine or valine' 1 C--N 1.216 -5.217 0 O-C-N 118.191 -2.818 . . . . 0.0 110.788 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 24' ' ' HIS . 20.1 ttmt -119.64 119.07 32.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 47.82 -134.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.287 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 3.24 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 21' ' ' LYS . 2.7 m-70 -109.7 156.04 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.552 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.535 ' CD2' HG22 ' A' ' 20' ' ' VAL . 12.0 mt -109.28 139.02 44.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.784 ' NH1' ' CG ' ' A' ' 49' ' ' HIS . 4.6 ttm-85 -109.24 125.28 52.1 Favored 'General case' 0 C--N 1.248 -3.82 0 O-C-N 116.72 -3.738 . . . . 0.0 110.854 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 2.4 mt -113.82 158.62 14.1 Favored 'Isoleucine or valine' 1 C--N 1.188 -6.447 0 O-C-N 120.21 -1.556 . . . . 0.0 109.527 178.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.5 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 41.0 m-85 -115.71 157.88 23.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.389 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 5.7 m-80 -81.24 1.71 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.423 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.583 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 4.7 mpp? -153.93 132.33 12.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.381 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.611 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.9 m -53.29 164.33 0.47 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.14 -43.45 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.73 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -67.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.546 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -58.9 -27.46 65.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 3.2 t80 -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.4 -40.11 93.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.46 -29.67 69.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.33 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.671 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -65.04 -28.89 69.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.798 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 39' ' ' ILE . 16.1 mt -65.21 -28.98 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -71.77 0.4 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.879 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m -70.19 -51.89 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.212 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.74 -40.12 95.58 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.585 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.666 ' N ' ' O ' ' A' ' 38' ' ' SER . 18.7 t70 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.813 0.339 . . . . 0.0 110.548 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 47' ' ' HIS . 40.9 p-80 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.841 0.353 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.609 ' O ' ' ND2' ' A' ' 29' ' ' ASN . . . -173.1 154.15 19.89 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.784 ' CG ' ' NH1' ' A' ' 26' ' ' ARG . 9.4 p-80 -134.22 160.19 38.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.566 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.568 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.0 t -116.78 138.77 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.49 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.686 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -120.97 135.26 55.25 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.495 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.436 ' C ' HD12 ' A' ' 53' ' ' LEU . 7.5 m95 -109.64 140.56 43.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.691 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 53' ' ' LEU . 7.6 mp -110.75 168.08 9.75 Favored 'General case' 1 C--N 1.192 -6.262 0 O-C-N 118.015 -2.928 . . . . 0.0 110.547 -179.604 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -1.14 0.1 Allowed 'General case' 0 C--N 1.27 -2.849 0 O-C-N 121.495 -0.753 . . . . 0.0 111.237 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.681 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 1.2 p90 -177.03 5.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.251 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.35 162.35 33.82 Favored 'General case' 0 C--N 1.276 -2.621 1 O-C-N 115.391 -4.568 . . . . 0.0 111.074 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -114.01 139.37 49.32 Favored 'General case' 1 C--N 1.235 -4.406 0 O-C-N 116.449 -3.907 . . . . 0.0 110.316 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -131.22 153.08 49.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.739 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.568 ' HG3' HG22 ' A' ' 50' ' ' VAL . 9.0 mtmt -141.02 145.02 35.36 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.23 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.49 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 2.2 tt0 . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.108 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.527 ' OD2' ' CD2' ' A' ' 28' ' ' TYR . 25.8 t0 -83.29 108.73 16.7 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.797 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -140.17 160.26 40.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.156 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.604 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 5.8 ttp85 -141.05 161.62 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.13 127.5 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.771 ' HZ2' HH22 ' A' ' 26' ' ' ARG . 6.7 ttmt -129.81 99.76 5.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 61.65 -119.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -95.02 -5.44 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.298 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.61 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.3 m-70 -109.32 159.45 16.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 0.0 110.928 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.61 HD12 ' C ' ' A' ' 24' ' ' HIS . 9.7 mp -109.32 138.5 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.771 HH22 ' HZ2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -108.92 124.75 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.888 -179.338 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -111.24 158.56 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.338 179.096 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.604 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 31.9 m-85 -117.48 159.73 22.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.607 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.514 ' C ' ' SD ' ' A' ' 30' ' ' MET . 3.2 m120 -88.46 4.59 45.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.514 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 3.4 mpp? -150.59 119.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.136 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 m -43.07 169.26 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.969 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 2.4 tmtp? -59.76 -41.1 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 110.27 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -65.65 -66.35 0.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.341 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.684 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.21 -27.75 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.816 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 4.3 t80 -54.57 -47.88 72.75 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 5.7 m-80 -65.87 -43.44 88.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.024 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -31.03 71.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.843 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.8 p -59.12 -29.36 67.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 13.8 mm -65.64 -29.36 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.4 -71.27 0.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.142 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -69.17 -52.97 22.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.063 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.623 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.27 -45.92 89.1 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.674 ' N ' ' O ' ' A' ' 38' ' ' SER . 6.1 t70 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 0.0 110.6 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.27 151.66 15.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.708 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -140.34 160.16 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.385 179.747 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.532 ' CG1' ' HE1' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -119.64 146.48 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 -179.721 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.52 ' OD1' ' CD ' ' A' ' 60' ' ' GLU . 1.8 m-20 -128.24 135.71 50.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.638 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.532 ' HE1' ' CG1' ' A' ' 50' ' ' VAL . 15.6 m95 -110.12 140.3 44.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.101 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' A' ' 55' ' ' TYR . 5.5 mp -109.25 78.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.819 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.6 ptt? 38.26 9.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.153 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.719 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER 175.92 -20.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.456 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.42 159.49 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.62 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.05 136.15 49.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.06 160.35 39.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -124.07 143.97 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.623 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 3.8 pt-20 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.964 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 32' ' ' LYS . 1.4 m-20 -55.07 126.53 25.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.324 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -140.15 164.1 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.12 168.7 19.73 Favored 'General case' 0 C--N 1.281 -2.372 3 O-C-N 108.88 -8.637 . . . . 0.0 110.241 -178.17 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.53 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -115.61 133.78 60.91 Favored 'Isoleucine or valine' 1 C--N 1.092 -10.627 2 O-C-N 112.764 -6.21 . . . . 0.0 110.546 -178.821 . . . . . . . . 5 4 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.668 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -138.58 114.62 10.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.584 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 47.5 t-20 48.26 -127.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 7.0 mtm180 -88.86 2.68 53.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.605 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.6 m-70 -116.38 156.97 25.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.102 0.477 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 24' ' ' HIS . 4.4 mm? -109.4 136.49 48.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.668 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -107.06 118.19 36.04 Favored 'General case' 0 C--N 1.281 -2.385 0 O-C-N 121.029 -1.044 . . . . 0.0 111.162 -179.044 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 3.3 mt -108.62 154.9 9.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.624 -1.297 . . . . 0.0 109.62 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.428 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 37.5 m-85 -111.63 156.52 21.69 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.921 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 30' ' ' MET . 61.8 m-20 -96.28 52.11 1.24 Allowed 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.646 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.578 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 2.2 mtp 157.23 141.23 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.607 0.718 . . . . 0.0 110.566 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.673 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -66.47 157.87 30.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.008 -179.718 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.2 ttpp -44.74 -36.84 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.512 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 34' ' ' CYS . 4.9 m -65.49 -70.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.673 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.85 -28.74 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.9 -46.35 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -66.21 -42.06 89.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.276 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -34.23 77.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.827 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.7 p -58.47 -29.8 66.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.21 -30.83 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -71.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.316 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.8 m -69.23 -52.67 25.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.352 -1.294 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.616 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.58 -44.03 93.48 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.347 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.1 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.03 0.443 . . . . 0.0 110.032 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.22 156.82 26.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.578 ' O ' ' OE2' ' A' ' 60' ' ' GLU . 25.5 p-80 -140.55 160.49 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.212 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.88 138.39 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.478 ' OD2' ' OE2' ' A' ' 60' ' ' GLU . 1.9 m-20 -121.96 134.56 54.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.943 0.401 . . . . 0.0 111.008 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -109.48 137.59 47.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.622 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -108.53 161.26 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 0.0 110.53 -179.368 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.404 ' H ' ' HG ' ' A' ' 53' ' ' LEU . 22.8 ptm -68.54 25.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.029 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.622 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -171.24 -34.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.416 -179.324 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.581 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 23.2 p -139.3 160.84 38.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 15.5 p-10 -109.7 150.0 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.63 154.87 51.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -140.54 144.52 35.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.236 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.575 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -90.62 108.24 19.68 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.234 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.509 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 7.4 p90 -140.89 161.31 38.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.513 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 5.8 ttp85 -140.1 161.0 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.412 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 72.4 t -109.07 119.45 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.566 ' O ' ' O ' ' A' ' 24' ' ' HIS . 2.3 tppt? -121.57 129.09 52.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 38.44 -121.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -95.83 3.3 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 21' ' ' LYS . 5.1 m-70 -117.6 156.37 28.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.099 0.476 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 10.2 mp -109.26 136.51 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.682 ' NH1' ' OH ' ' A' ' 28' ' ' TYR . 9.0 ttp85 -109.01 125.51 52.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.9 mt -111.01 157.77 11.77 Favored 'Isoleucine or valine' 1 C--N 1.221 -4.991 0 O-C-N 117.513 -3.242 . . . . 0.0 109.594 179.572 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.682 ' OH ' ' NH1' ' A' ' 26' ' ' ARG . 56.7 m-85 -116.02 127.39 54.87 Favored 'General case' 1 C--N 1.223 -4.919 0 O-C-N 119.828 -1.795 . . . . 0.0 109.661 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 30' ' ' MET . 13.7 t-20 -61.8 -4.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.557 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.607 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 3.1 mtt -153.92 119.3 5.15 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.538 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.622 ' O ' ' N ' ' A' ' 35' ' ' PHE . 8.0 m -67.21 166.14 14.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.646 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.675 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttp -37.91 -48.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.29 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 m -66.09 -63.34 1.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.703 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -59.65 -28.27 67.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.982 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.622 ' N ' ' O ' ' A' ' 31' ' ' CYS . 79.9 t80 -65.06 -46.12 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.675 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.1 m-80 -65.82 -39.24 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.9 -31.83 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.738 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.637 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.4 p -64.27 -28.63 69.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.016 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.3 -31.55 54.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -79.05 -68.97 0.61 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.425 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -67.89 -51.1 51.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.988 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.53 -47.65 75.87 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.507 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 31.3 t0 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 0.0 111.031 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.85 0.357 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.88 120.04 2.13 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.548 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 3.8 p-80 -130.79 157.91 41.56 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.996 0.427 . . . . 0.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 59' ' ' LYS . 1.7 t -113.41 131.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 116.49 -3.881 . . . . 0.0 110.339 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -115.02 136.46 53.1 Favored 'General case' 1 C--N 1.227 -4.718 0 O-C-N 117.086 -3.508 . . . . 0.0 110.754 179.143 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -109.41 146.7 34.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.222 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 53' ' ' LEU . 6.0 mp -112.35 171.2 7.66 Favored 'General case' 1 C--N 1.156 -7.809 0 O-C-N 116.536 -3.852 . . . . 0.0 110.472 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -61.37 -1.08 0.46 Allowed 'General case' 0 C--N 1.263 -3.167 0 O-C-N 120.684 -1.26 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 55' ' ' TYR . 1.1 p90 -174.37 2.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.24 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.27 162.29 33.92 Favored 'General case' 0 C--N 1.252 -3.635 1 O-C-N 113.597 -5.69 . . . . 0.0 110.999 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 155.29 25.4 Favored 'General case' 1 C--N 1.222 -4.952 1 O-C-N 113.856 -5.527 . . . . 0.0 110.29 179.838 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -138.59 154.63 48.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HG2' HG22 ' A' ' 50' ' ' VAL . 42.3 mtpt -140.98 134.45 29.91 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 . . . . . 0 C--N 1.322 -0.593 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.019 179.174 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -82.98 106.5 14.86 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -140.35 161.11 38.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 19' ' ' ARG . 3.6 ttp85 -140.37 167.98 20.88 Favored 'General case' 1 C--N 1.194 -6.19 3 O-C-N 107.511 -9.493 . . . . 0.0 110.628 -179.198 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 t -116.72 119.29 61.53 Favored 'Isoleucine or valine' 1 C--N 1.162 -7.584 3 O-C-N 108.799 -8.688 . . . . 0.0 110.41 -179.158 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.691 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 7.0 tptm -120.77 125.69 48.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.256 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 40.93 -120.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 4.46 45.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.842 0.353 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -109.43 157.66 18.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.498 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 11.6 mt -109.3 136.17 49.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.691 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -111.15 122.62 48.36 Favored 'General case' 0 C--N 1.37 1.488 0 O-C-N 120.84 -1.163 . . . . 0.0 111.135 -178.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.545 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.5 mt -109.38 159.64 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.9 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.545 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 45.7 m-85 -118.84 158.94 24.66 Favored 'General case' 0 C--N 1.245 -3.942 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.646 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -84.8 -1.38 56.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.827 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -147.43 131.59 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.516 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.633 ' O ' ' N ' ' A' ' 35' ' ' PHE . 2.9 m -57.75 162.61 3.02 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.63 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -46.65 -52.0 14.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.384 . . . . 0.0 111.216 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 m -60.85 -67.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.509 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.29 -27.68 56.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.291 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.633 ' N ' ' O ' ' A' ' 31' ' ' CYS . 2.9 t80 -62.13 -45.88 91.51 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.63 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -65.66 -41.55 92.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.852 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' SER . 1.5 t-20 -66.74 -34.52 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.919 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.642 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -59.41 -32.28 70.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.974 179.502 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 2.7 mt -65.77 -30.72 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.52 -70.22 0.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.835 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.8 m -68.44 -52.19 35.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.135 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.642 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.23 -41.75 96.65 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.642 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.9 t0 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.94 0.4 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.58 159.36 27.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.633 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.73 156.99 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.422 . . . . 0.0 111.024 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.739 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.8 t -118.7 123.18 71.12 Favored 'Isoleucine or valine' 1 C--N 1.231 -4.558 3 O-C-N 107.749 -9.344 . . . . 0.0 110.528 179.851 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 1.9 m-20 -107.8 137.33 46.0 Favored 'General case' 1 C--N 1.148 -8.169 3 O-C-N 109.126 -8.484 . . . . 0.0 110.429 179.276 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.466 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -110.29 139.01 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.18 179.719 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.627 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -107.82 158.61 17.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -70.64 26.19 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.164 0.507 . . . . 0.0 109.811 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -162.13 -42.11 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.915 -179.488 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.582 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 1.8 t -140.88 160.29 40.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.721 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -113.43 158.19 20.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.512 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.08 155.08 47.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.611 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.739 ' CG ' HG22 ' A' ' 50' ' ' VAL . 4.9 mtmt -133.39 137.85 46.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.5 pm0 . . . . . 0 C--N 1.326 -0.415 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.013 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 5.9 tpp180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.773 0.321 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.569 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.6 p-10 -66.08 130.7 44.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.454 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 6.4 p-90 -140.86 160.05 40.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.635 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -140.68 160.89 39.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.475 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 32.2 t -108.66 112.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.131 0.491 . . . . 0.0 110.268 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -117.31 114.28 23.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 49.61 -130.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -88.25 1.24 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.498 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.659 ' CE1' ' HG ' ' A' ' 53' ' ' LEU . 2.5 m-70 -111.03 161.26 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -108.16 161.05 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.241 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 2.8 ttt180 -134.07 117.87 17.11 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.177 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 2.6 mp -111.68 155.36 13.05 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.385 0 O-C-N 117.602 -3.186 . . . . 0.0 109.537 179.166 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.635 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.8 m-85 -118.42 154.35 32.59 Favored 'General case' 1 C--N 1.213 -5.336 0 O-C-N 120.508 -1.37 . . . . 0.0 110.986 -178.682 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 30' ' ' MET . 36.8 m-80 -89.54 44.02 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.482 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 3.2 mtm 159.71 139.59 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.995 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -60.22 171.36 1.04 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.722 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.513 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.3 tptt -59.21 -36.09 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.24 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 m -65.53 -66.41 0.55 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.72 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.695 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.4 p -55.14 -26.85 41.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.525 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' O ' ' OG ' ' A' ' 38' ' ' SER . 23.5 t80 -55.3 -48.67 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 0.0 109.886 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.6 m-80 -65.29 -42.15 93.41 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -31.87 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.742 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 34' ' ' CYS . 28.6 p -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.983 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 4.0 mt -65.03 -29.39 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -70.36 0.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.215 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 m -68.18 -50.94 51.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.967 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.4 -47.56 77.81 Favored Glycine 0 C--N 1.33 0.227 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 38' ' ' SER . 9.7 t70 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 0.0 110.977 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.9 m80 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.858 0.361 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 169.55 154.44 9.2 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.785 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 15.9 p-80 -140.37 159.1 42.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.136 0.494 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -113.96 128.62 70.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 116.542 -3.849 . . . . 0.0 109.975 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 2.4 m-20 -123.88 142.17 51.38 Favored 'General case' 1 C--N 1.218 -5.14 0 O-C-N 118.488 -2.632 . . . . 0.0 110.631 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -109.71 148.94 30.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.025 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.659 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -112.79 168.85 9.34 Favored 'General case' 1 C--N 1.155 -7.88 0 O-C-N 118.235 -2.791 . . . . 0.0 110.084 -179.647 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -66.59 4.51 0.76 Allowed 'General case' 0 C--N 1.285 -2.201 0 O-C-N 120.998 -1.064 . . . . 0.0 110.966 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.628 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.2 OUTLIER -173.16 -4.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.962 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.628 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -136.01 161.03 36.82 Favored 'General case' 0 C--N 1.249 -3.779 1 O-C-N 114.813 -4.93 . . . . 0.0 110.986 179.758 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 58' ' ' ALA . 2.5 t0 -112.68 144.83 41.53 Favored 'General case' 0 C--N 1.251 -3.679 1 O-C-N 114.299 -5.25 . . . . 0.0 109.993 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.667 ' N ' ' OD1' ' A' ' 57' ' ' ASP . . . -124.95 153.61 42.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.42 142.44 35.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.057 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 4.4 tt0 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.577 ' N ' ' CD ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.599 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -87.41 139.9 30.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 p90 -140.2 157.69 45.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.951 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -141.45 161.93 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.296 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 8.1 t -108.01 116.57 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.047 0.451 . . . . 0.0 110.716 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.846 ' HZ2' HH21 ' A' ' 26' ' ' ARG . 5.4 ttmt -119.33 109.99 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.541 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 2.3 m-20 54.04 -131.69 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -88.03 1.36 54.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.895 ' CE1' HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -109.48 159.57 16.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' C ' ' A' ' 24' ' ' HIS . 3.6 mm? -109.08 138.24 45.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.846 HH21 ' HZ2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -109.2 116.92 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.321 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.83 153.08 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.958 178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 30.8 m-85 -110.15 150.53 28.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.676 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -69.61 -17.54 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.624 -179.464 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.571 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 12.2 mtm -145.79 156.45 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.528 ' N ' ' HB3' ' A' ' 16' ' ' ARG . 3.6 m -65.28 172.78 2.9 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.616 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.517 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -60.13 -44.04 95.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 m -65.89 -68.72 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.093 0.473 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -47.96 -28.1 2.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.467 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.44 -45.94 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.0 m-80 -65.51 -39.18 91.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -31.74 72.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.467 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.629 ' O ' ' CA ' ' A' ' 42' ' ' GLY . 1.0 OUTLIER -60.31 -29.91 69.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -30.66 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -78.74 -70.74 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.205 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 m -68.8 -52.03 34.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.078 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.629 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.24 -45.52 90.85 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.9 t0 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.96 0.409 . . . . 0.0 110.548 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.648 ' CG ' ' O ' ' A' ' 47' ' ' HIS . 6.6 p-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.92 160.47 33.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.56 ' CD2' ' N ' ' A' ' 49' ' ' HIS . 5.7 p80 -139.77 160.17 40.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.81 136.95 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.214 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.89 131.81 54.23 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.471 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.36 140.44 43.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.988 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.895 HD21 ' CE1' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -111.44 155.71 22.76 Favored 'General case' 1 C--N 1.19 -6.356 0 O-C-N 118.966 -2.333 . . . . 0.0 110.479 -179.191 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.414 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -50.65 -10.12 0.06 Allowed 'General case' 0 C--N 1.26 -3.31 0 O-C-N 120.826 -1.171 . . . . 0.0 110.735 -178.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.614 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.3 OUTLIER -166.21 8.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.237 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.614 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -135.63 158.02 45.42 Favored 'General case' 0 C--N 1.269 -2.923 1 O-C-N 115.925 -4.235 . . . . 0.0 110.882 179.305 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -121.17 139.73 52.96 Favored 'General case' 1 C--N 1.241 -4.116 0 O-C-N 116.658 -3.776 . . . . 0.0 110.489 179.772 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.71 155.33 49.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -140.47 141.2 35.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' OE2' ' C ' ' A' ' 60' ' ' GLU . 3.6 tp10 . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 121.081 0.467 . . . . 0.0 109.788 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.734 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.926 0.393 . . . . 0.0 111.414 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 18.4 p-10 -85.95 125.35 33.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.709 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.561 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -141.42 161.84 36.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.102 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 7.9 ttp85 -140.7 160.43 40.05 Favored 'General case' 1 C--O 1.107 -6.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.96 -178.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.471 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 94.9 t -109.3 110.75 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.798 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.1 OUTLIER -109.78 117.31 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.662 -179.773 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 1.4 m-20 46.41 -125.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -90.39 -0.25 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.355 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.771 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -111.17 157.14 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.4 mp -109.76 138.98 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.798 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -109.36 124.16 50.52 Favored 'General case' 1 C--O 1.093 -7.133 0 CA-C-O 124.337 2.018 . . . . 0.0 110.86 -179.445 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mt -110.8 151.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 O-C-N 120.133 -1.604 . . . . 0.0 109.843 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.529 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.1 m-85 -117.84 160.75 20.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.939 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.64 ' C ' ' SD ' ' A' ' 30' ' ' MET . 7.3 m-80 -91.74 -18.12 24.39 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.363 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.64 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 2.1 mpp? -134.9 136.43 42.35 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.179 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.2 m -61.03 176.42 0.42 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 8.9 tttp -56.91 -35.27 68.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -70.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.679 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 1.2 p -61.19 -27.58 68.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.595 ' O ' ' OG ' ' A' ' 38' ' ' SER . 5.5 t80 -54.08 -49.31 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.37 0.605 . . . . 0.0 109.56 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 32' ' ' LYS . 4.9 m120 -66.76 -38.94 87.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.208 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.8 t-20 -65.72 -36.13 82.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.86 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.66 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -57.16 -29.2 63.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 7.0 mm -65.64 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -79.28 -64.69 1.13 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.36 178.222 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -66.87 -52.34 44.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -64.92 -48.83 67.03 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 38.0 t70 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.533 -0.333 . . . . 0.0 111.279 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.519 ' HE2' ' HA3' ' A' ' 42' ' ' GLY . 8.9 m-70 . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 47' ' ' HIS . . . -147.74 161.1 28.49 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.71 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -135.36 159.54 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.97 0.414 . . . . 0.0 110.739 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -112.08 140.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.736 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -122.56 134.25 54.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.653 179.418 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -109.99 138.95 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.133 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -109.6 77.32 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.023 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.3 ptm 38.18 7.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.358 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER 178.03 -21.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.329 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.704 ' OG1' ' CZ ' ' A' ' 55' ' ' TYR . 23.1 m -111.8 160.09 17.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 56' ' ' THR . 4.9 t70 -131.44 137.7 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.524 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.06 160.23 40.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.336 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -116.75 140.61 49.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.657 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 6.1 pt-20 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.829 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' CE1' ' A' ' 3' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.56 166.37 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.496 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 1' ' ' GLY . 9.3 m-85 -130.69 -128.01 0.2 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.491 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -106.94 1.21 24.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.262 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 m -60.79 174.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -138.82 99.14 8.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -79.07 168.85 20.04 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.621 2.214 . . . . 0.0 112.204 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.763 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -55.52 168.66 0.37 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.281 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.763 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 15.7 m -128.9 -32.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.354 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 10' ' ' VAL . 1.3 t -63.36 -19.24 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.654 ' C ' ' H ' ' A' ' 13' ' ' VAL . 3.8 m -125.6 -29.83 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.713 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER 51.06 3.67 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.105 179.092 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.654 ' H ' ' C ' ' A' ' 11' ' ' CYS . 14.2 m -109.0 0.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.227 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.674 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -139.47 153.57 70.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.138 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 57.3 Cg_endo -73.37 -68.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.902 2.401 . . . . 0.0 112.055 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.8 OUTLIER 160.15 112.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.676 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.6 p-10 -33.98 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -141.21 157.74 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.204 0.526 . . . . 0.0 111.04 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.2 tpp85 -141.08 165.3 27.93 Favored 'General case' 2 C--O 1.094 -7.096 0 O-C-N 119.645 -1.91 . . . . 0.0 109.826 179.714 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.448 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.2 t -111.95 125.43 69.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 118.095 -2.878 . . . . 0.0 110.645 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' NZ ' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -118.79 98.2 6.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -179.367 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 21' ' ' LYS . 4.0 t-20 27.45 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.283 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 67.36 -13.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.927 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.602 ' C ' HD22 ' A' ' 25' ' ' LEU . 5.3 m-70 -109.46 155.89 20.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.828 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.602 HD22 ' C ' ' A' ' 24' ' ' HIS . 4.2 mm? -109.94 132.46 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.458 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.634 ' NH2' ' O2B' ' A' 1318 ' ' ATP . 1.2 ttp180 -113.49 125.88 54.7 Favored 'General case' 1 C--O 1.098 -6.905 0 CA-C-O 124.418 2.056 . . . . 0.0 111.087 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.1 mp -109.41 164.1 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 120.135 -1.603 . . . . 0.0 109.36 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 49.7 m-85 -120.69 160.36 23.47 Favored 'General case' 1 C--N 1.209 -5.534 0 O-C-N 120.77 -1.206 . . . . 0.0 110.286 -179.482 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.485 ' ND2' ' SD ' ' A' ' 30' ' ' MET . 31.8 t30 -85.87 -14.4 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.751 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.621 ' SD ' ' O ' ' A' ' 46' ' ' TYR . 3.2 mpp? -140.25 138.04 34.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.611 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.747 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.7 m -56.96 171.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -57.12 -42.43 80.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.0 m -65.15 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.747 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.5 p -56.5 -28.97 61.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.179 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 11.0 t80 -59.85 -50.46 73.7 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.3 m-80 -65.24 -40.57 94.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -66.68 -34.14 77.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.49 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.2 p -57.49 -30.73 65.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 39' ' ' ILE . 12.8 mm -66.26 -33.58 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -78.55 -69.82 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.554 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -68.4 -52.61 31.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.024 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.66 -48.98 62.44 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.665 ' N ' ' O ' ' A' ' 38' ' ' SER . 44.4 t0 60.2 -51.76 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.907 0.384 . . . . 0.0 110.266 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.711 ' N ' ' O ' ' A' ' 42' ' ' GLY . 2.9 m-20 -157.98 58.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.441 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.609 ' C ' ' H ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -158.68 171.64 19.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.972 0.415 . . . . 0.0 111.018 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.621 ' O ' ' SD ' ' A' ' 30' ' ' MET . 3.9 m-85 52.0 2.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.755 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.609 ' H ' ' C ' ' A' ' 45' ' ' THR . 20.0 p-80 -72.29 103.62 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.397 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.89 152.24 21.34 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.87 ' CD2' " H3'" ' A' 1318 ' ' ATP . 0.0 OUTLIER -141.16 160.44 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.689 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -123.57 131.5 72.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 116.657 -3.777 . . . . 0.0 110.639 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -111.6 132.16 54.75 Favored 'General case' 1 C--N 1.212 -5.377 0 O-C-N 119.527 -1.983 . . . . 0.0 110.403 178.938 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.556 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -109.41 134.32 51.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.665 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.706 ' N ' HD12 ' A' ' 53' ' ' LEU . 6.7 mp -108.45 159.86 16.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.434 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 6.5 ptt? -71.15 34.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.588 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -169.89 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.649 -179.148 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.51 162.05 36.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.094 0.474 . . . . 0.0 111.504 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD2' ' CZ2' ' A' ' 52' ' ' TRP . 9.9 t0 -109.27 149.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.538 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.9 159.84 41.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.641 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 14.8 mtpp -129.44 141.2 51.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.01 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.685 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 4.3 pt-20 -140.23 78.8 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.296 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -94.89 -110.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.18 102.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.686 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.2 p -107.04 -45.04 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.497 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.87 " H3'" ' CD2' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.99 -172.77 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.534 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -120.44 -175.09 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.293 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 6' ' ' LYS . 25.2 ttt85 -116.95 -14.39 10.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.983 0.42 . . . . 0.0 110.646 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 4' ' ' ARG . 1.8 m -35.45 92.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.603 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 2.8 tttp -96.92 -44.17 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.606 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 70.9 Cg_endo -83.29 -166.48 0.38 Allowed 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.834 2.356 . . . . 0.0 111.985 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.737 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 6.0 t -46.65 168.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.204 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.737 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -136.85 -19.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.053 -179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.483 HG23 ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -82.0 -13.72 12.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.015 0.436 . . . . 0.0 109.956 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.825 ' O ' HG22 ' A' ' 13' ' ' VAL . 3.6 m -126.51 -27.9 3.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HG3' ' C ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 42.22 10.82 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.458 178.372 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 11' ' ' CYS . 3.0 m -111.25 -13.77 10.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.161 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.736 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -118.41 158.42 46.87 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.896 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.495 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 48.5 Cg_endo -72.23 -81.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.708 2.272 . . . . 0.0 111.588 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' CG ' ' C ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER 172.86 108.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.343 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.554 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 5.8 m-20 -32.17 131.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.538 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 4.1 p-90 -140.24 157.54 45.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.0 ttp85 -140.85 160.54 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.001 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.4 p -108.98 134.31 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.572 ' CG ' HD22 ' A' ' 22' ' ' ASN . 0.5 OUTLIER -138.89 125.38 20.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.906 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.579 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 3.6 p30 39.15 -114.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.912 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.579 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 5.7 mtp180 -104.12 10.48 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.781 ' ND1' HD13 ' A' ' 53' ' ' LEU . 1.2 m-70 -120.3 156.87 30.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.201 0.524 . . . . 0.0 111.12 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 mm? -109.38 134.38 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.799 HH21 " H3'" ' A' 1318 ' ' ATP . 22.8 ttt180 -109.3 117.57 34.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.366 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -109.31 154.21 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.512 179.244 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.455 ' CD1' ' C5 ' ' A' 1318 ' ' ATP . 46.3 m-85 -111.61 160.32 17.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.454 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.465 ' C ' ' CG ' ' A' ' 30' ' ' MET . 43.4 t30 -75.31 -13.66 60.44 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.806 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.465 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 5.5 mtm -154.29 160.22 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.736 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 1.8 m -66.29 177.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.376 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' CB ' ' OD2' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -65.44 -33.71 76.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.021 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 m -66.71 -70.78 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.173 0.511 . . . . 0.0 110.087 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.643 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -44.81 -28.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.309 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.458 ' HB2' ' N6 ' ' A' 1318 ' ' ATP . 0.5 OUTLIER -61.51 -48.04 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -65.98 -41.98 90.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.304 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.56 -29.58 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.029 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 p -63.97 -28.67 69.97 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.44 -30.01 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -69.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.473 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.6 m -70.1 -50.93 35.86 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.101 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.678 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.7 -44.63 92.09 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.171 -178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.8 t0 59.02 -62.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.863 0.363 . . . . 0.0 110.795 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.678 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.4 p-10 -162.07 58.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.498 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.423 ' HG1' ' C ' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -168.03 42.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.222 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -135.89 -27.06 1.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.34 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -40.88 132.17 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.919 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.24 126.48 0.85 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.692 ' ND1' ' OE1' ' A' ' 60' ' ' GLU . 43.8 p-80 -138.99 150.15 45.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.257 0.551 . . . . 0.0 110.261 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -109.92 146.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.706 -179.53 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 m-20 -133.95 137.82 45.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.891 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.614 ' C ' HD22 ' A' ' 53' ' ' LEU . 6.1 m95 -114.16 141.34 47.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.153 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.781 HD13 ' ND1' ' A' ' 24' ' ' HIS . 2.6 mm? -109.54 77.32 1.05 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.664 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ptt? 28.21 25.74 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.921 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.743 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 174.48 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.303 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.679 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 1.2 m -109.33 155.35 21.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.925 0.393 . . . . 0.0 110.608 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' N ' ' CG2' ' A' ' 56' ' ' THR . 10.4 p-10 -114.07 139.73 49.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -122.35 156.01 34.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.28 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 66.6 mttt -140.68 135.67 31.87 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.645 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.692 ' OE1' ' ND1' ' A' ' 49' ' ' HIS . 1.5 tm-20 -141.33 78.11 1.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.363 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -115.7 -59.35 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.465 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m -75.13 -170.84 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -82.93 -176.49 6.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.555 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.799 " H3'" HH21 ' A' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 p -56.47 159.57 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -106.84 -55.29 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 4' ' ' ARG . 6.1 mtm180 63.67 46.8 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.709 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.11 -92.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.557 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -70.94 -45.79 15.28 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.227 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 17.6 Cg_exo -63.2 142.74 87.83 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.887 2.391 . . . . 0.0 111.526 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.778 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 6.0 t -47.77 169.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.778 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.8 p -143.43 -24.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -11.36 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.651 ' C ' ' H ' ' A' ' 13' ' ' VAL . 3.0 m -131.9 -33.96 1.33 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.781 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.97 1.6 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.873 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.651 ' H ' ' C ' ' A' ' 11' ' ' CYS . 3.0 m -102.11 -0.42 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.739 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.765 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -140.9 153.38 67.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 40.4 Cg_endo -72.03 -73.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.698 2.266 . . . . 0.0 111.894 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' CG ' ' C ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER 171.86 110.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.303 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.511 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 44.6 t0 -37.36 143.21 0.1 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.985 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.52 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 4.6 p90 -140.47 159.79 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.235 0.541 . . . . 0.0 110.941 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.67 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 0.3 OUTLIER -142.44 159.42 42.27 Favored 'General case' 1 C--O 1.07 -8.345 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.051 -178.858 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.9 t -107.24 132.64 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 110.398 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.708 ' NZ ' ' NH1' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -130.66 118.56 21.13 Favored 'General case' 1 C--O 1.137 -4.843 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.298 -179.261 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.551 ' C ' ' H ' ' A' ' 24' ' ' HIS . 2.5 m-20 22.55 88.14 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 126.611 2.444 . . . . 0.0 111.943 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' A' ' 23' ' ' ARG . 0.1 OUTLIER 57.97 -4.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.647 178.763 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.551 ' H ' ' C ' ' A' ' 22' ' ' ASN . 2.2 m-70 -109.74 154.14 23.34 Favored 'General case' 1 C--O 1.078 -7.927 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.745 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mt -110.06 122.13 46.88 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 124.082 0.864 . . . . 0.0 109.433 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.708 ' NH1' ' NZ ' ' A' ' 21' ' ' LYS . 13.7 ttp-105 -102.06 123.67 46.34 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 125.975 2.047 . . . . 0.0 110.46 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 28' ' ' TYR . 1.0 OUTLIER -108.07 163.19 5.83 Favored 'Isoleucine or valine' 1 C--N 1.445 4.749 0 O-C-N 119.815 -1.803 . . . . 0.0 109.448 179.704 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' N ' HG23 ' A' ' 27' ' ' ILE . 55.1 m-85 -124.17 159.51 29.9 Favored 'General case' 1 C--N 1.441 4.582 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.821 -179.178 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.443 ' ND2' ' CE2' ' A' ' 61' ' ' PHE . 26.9 m-20 -81.91 -8.1 59.65 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 128.835 3.834 . . . . 0.0 110.973 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtm -147.59 148.47 31.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 111.356 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.9 m -65.86 169.34 6.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.4 tttp -54.53 -41.53 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.401 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -55.1 -27.75 47.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 8.7 t80 -57.67 -47.13 83.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.19 -40.65 90.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.8 t30 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.124 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.649 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -56.65 -28.89 61.57 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.64 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -65.26 -29.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.39 -70.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.351 178.339 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.9 m -68.33 -52.12 36.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.006 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.4 -49.02 63.11 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 38' ' ' SER . 36.8 t0 56.49 -65.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.894 0.378 . . . . 0.0 111.015 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.687 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.5 p-10 -161.15 57.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.523 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -155.52 -60.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.737 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -68.8 43.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 45' ' ' THR . 17.7 p80 -110.99 145.07 39.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.677 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.43 144.24 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.635 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 2.7 p-80 -140.45 154.34 46.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.434 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 t -111.48 133.87 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.405 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.619 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -116.57 132.71 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.918 0.39 . . . . 0.0 110.574 179.532 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 140.52 45.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.741 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' A' ' 55' ' ' TYR . 7.5 mp -110.75 169.98 8.4 Favored 'General case' 1 C--N 1.156 -7.833 0 O-C-N 116.795 -3.69 . . . . 0.0 110.406 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 ptm -67.31 2.74 1.5 Allowed 'General case' 0 C--N 1.27 -2.884 0 O-C-N 119.665 -1.897 . . . . 0.0 110.702 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 55' ' ' TYR . 4.8 p90 -174.16 7.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.724 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.56 164.95 28.78 Favored 'General case' 1 C--N 1.22 -5.044 1 O-C-N 114.635 -5.041 . . . . 0.0 110.626 -179.855 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -134.96 132.15 38.05 Favored 'General case' 1 C--N 1.242 -4.085 1 O-C-N 114.592 -5.067 . . . . 0.0 110.573 -179.714 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -119.26 160.01 23.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.541 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -140.46 139.96 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.996 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.635 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -139.68 78.41 1.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 179.519 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.443 ' CE2' ' ND2' ' A' ' 29' ' ' ASN . 1.7 t80 -90.75 -35.03 15.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.876 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 63' ' ' SER . 7.4 t -149.96 -63.66 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.486 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 62' ' ' SER . 53.8 m 48.63 100.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.455 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.694 ' O2B' ' NH2' ' A' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 p -81.16 148.73 29.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.897 0.38 . . . . 0.0 110.692 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -102.34 -110.72 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.78 2.22 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 5' ' ' VAL . 4.7 m -78.57 159.56 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.611 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.459 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 39.1 mttt -143.89 81.66 11.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.05 178.82 6.78 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.036 2.491 . . . . 0.0 112.554 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.757 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 17.6 t -49.09 175.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.324 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.757 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 25.2 m -127.63 -28.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.939 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -77.56 -11.42 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.19 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.664 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.3 m -133.6 -31.44 1.2 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.033 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER 46.31 8.99 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.246 0.546 . . . . 0.0 109.713 179.529 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.664 ' H ' ' C ' ' A' ' 11' ' ' CYS . 2.2 p -111.12 -3.65 10.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.636 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -131.44 153.27 81.55 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.105 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 35.5 Cg_endo -68.13 -73.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.836 2.358 . . . . 0.0 111.888 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' ASP . 10.6 mtp180 161.51 107.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.426 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.612 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 31.1 m-20 -25.44 134.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.654 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -140.29 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.557 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 26' ' ' ARG . 4.3 ttp85 -141.02 161.28 38.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.669 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.75 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.104 179.723 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.0 ttmt -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' LYS . 81.0 m-20 35.08 -108.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.07 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -118.87 6.71 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.042 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -109.44 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 9.9 mp -109.17 133.28 53.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -107.06 121.38 44.37 Favored 'General case' 0 C--N 1.409 3.191 0 O-C-N 127.694 3.121 . . . . 0.0 111.152 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.7 mt -109.13 160.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.395 2.566 0 O-C-N 119.101 -2.249 . . . . 0.0 109.178 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 53.8 m-85 -120.75 157.85 28.78 Favored 'General case' 1 C--N 1.206 -5.647 0 O-C-N 119.486 -2.009 . . . . 0.0 110.707 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.649 ' O ' ' SD ' ' A' ' 30' ' ' MET . 26.2 m-20 -77.66 -19.14 55.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.021 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.649 ' SD ' ' O ' ' A' ' 29' ' ' ASN . 3.3 mpp? -139.05 147.2 41.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.888 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 4.0 m -65.29 169.44 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.94 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.634 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 8.2 tttt -52.83 -46.25 67.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.6 m -65.15 -69.74 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -51.04 -28.19 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.461 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CD1' ' C6 ' ' A' 1318 ' ' ATP . 28.5 t80 -59.22 -49.22 78.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.634 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.4 m-80 -66.02 -41.45 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -66.81 -35.38 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.67 179.168 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.66 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -52.95 -31.19 39.11 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 mt -66.18 -30.34 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.4 mttt -78.95 -70.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.46 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -67.9 -52.61 34.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.717 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.72 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.82 -50.7 51.74 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 38' ' ' SER . 62.2 t0 50.94 -70.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.096 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.72 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.0 t70 -28.65 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.339 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.703 ' O ' ' N ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -162.94 -44.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 40.61 13.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.988 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.703 ' N ' ' O ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -73.15 159.87 32.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.735 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.73 137.07 3.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.701 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -140.25 159.66 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 110.863 -179.789 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.667 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.0 t -109.75 134.96 50.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 O-C-N 116.357 -3.964 . . . . 0.0 110.672 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -117.05 131.97 56.8 Favored 'General case' 1 C--N 1.198 -6.021 0 O-C-N 118.542 -2.599 . . . . 0.0 109.966 178.872 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 146.15 35.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD11 ' CE1' ' A' ' 24' ' ' HIS . 1.8 mm? -110.33 169.95 8.4 Favored 'General case' 1 C--N 1.163 -7.5 0 O-C-N 117.643 -3.161 . . . . 0.0 109.534 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 13.4 ptt? -79.2 27.14 0.25 Allowed 'General case' 0 C--N 1.274 -2.716 0 O-C-N 120.153 -1.592 . . . . 0.0 109.423 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 54' ' ' MET . 0.3 OUTLIER -178.14 -20.37 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.245 -179.209 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.09 163.01 31.82 Favored 'General case' 0 C--N 1.247 -3.849 1 O-C-N 114.862 -4.899 . . . . 0.0 112.078 -179.225 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -112.73 143.71 43.48 Favored 'General case' 0 C--N 1.25 -3.725 1 O-C-N 114.759 -4.963 . . . . 0.0 109.505 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -138.66 159.69 41.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.616 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.667 ' CG ' HG22 ' A' ' 50' ' ' VAL . 32.1 mtpt -136.27 148.61 48.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.259 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 51' ' ' ASP . 1.3 pt-20 -147.19 77.31 1.45 Allowed 'General case' 0 C--N 1.246 -3.906 0 O-C-N 121.353 -0.842 . . . . 0.0 110.738 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.556 ' O ' ' CB ' ' A' ' 62' ' ' SER . 67.3 m-85 -48.36 -36.17 13.97 Favored 'General case' 1 C--N 1.2 -5.933 0 O-C-N 119.44 -2.037 . . . . 0.0 110.199 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.1 m 86.19 82.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.555 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.627 ' OG ' ' N ' ' A' ' 64' ' ' THR . 0.3 OUTLIER -65.59 -91.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.627 ' N ' ' OG ' ' A' ' 63' ' ' SER . 1.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.677 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.749 " H3'" ' O1A' ' A' 1318 ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.02 94.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.676 0.274 . . . . 0.0 110.432 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER 41.97 -148.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.4 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 41.49 20.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.431 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.545 ' N ' ' O ' ' A' ' 3' ' ' PHE . 1.3 p -115.35 4.45 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.459 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 4.8 tttt -129.78 67.41 79.26 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.615 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.535 ' O ' ' O ' ' A' ' 8' ' ' CYS . 48.4 Cg_endo -73.69 -175.25 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.712 2.275 . . . . 0.0 111.591 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.749 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 8.7 t -42.06 170.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.511 -0.476 . . . . 0.0 109.964 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.749 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 20.5 m -125.83 -29.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.697 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -74.76 -12.45 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.184 179.437 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.662 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.4 m -135.13 -33.9 0.89 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.78 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.37 4.99 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.095 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.662 ' H ' ' C ' ' A' ' 11' ' ' CYS . 4.2 m -104.57 -4.54 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.38 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.783 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -132.28 148.28 69.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.543 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 21.2 Cg_endo -65.02 -76.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.477 2.118 . . . . 0.0 111.48 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.648 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 4.4 mtp180 161.69 112.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.238 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.604 ' OD1' ' N ' ' A' ' 18' ' ' TRP . 52.1 t0 -32.74 143.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.073 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.604 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 17.8 p90 -140.09 158.62 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.067 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.668 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 4.1 ttp85 -140.87 162.95 34.25 Favored 'General case' 1 C--O 1.09 -7.339 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.178 -179.797 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.523 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 52.8 t -108.5 119.91 58.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 O-C-N 123.856 0.722 . . . . 0.0 110.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -109.01 93.78 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 6.1 t30 9.5 94.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.644 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 2.2 tpt180 95.57 -40.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.443 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.541 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 3.7 m-70 -109.48 159.2 17.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 6.9 mp -109.37 134.95 51.19 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.608 ' NH2' ' PB ' ' A' 1318 ' ' ATP . 10.2 ttm-85 -110.71 123.2 49.57 Favored 'General case' 1 C--O 1.081 -7.806 0 CA-C-O 125.156 2.408 . . . . 0.0 111.519 -178.531 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.3 mp -110.03 154.5 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 119.603 -1.936 . . . . 0.0 108.79 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.668 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 33.3 m-85 -109.83 160.77 16.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.802 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.34 -6.52 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.602 ' SD ' ' O ' ' A' ' 46' ' ' TYR . 3.5 mpp? -147.9 142.11 26.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.783 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 3.9 m -58.86 172.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.056 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.674 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttt -60.22 -40.64 90.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.732 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -63.99 -68.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.043 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.729 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.2 p -54.55 -28.27 44.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' O ' ' OG ' ' A' ' 38' ' ' SER . 12.6 t80 -60.43 -47.23 86.99 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.674 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -65.43 -42.2 92.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.944 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -33.82 76.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.532 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.647 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.8 p -59.67 -29.06 67.8 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.001 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 mm -65.1 -29.88 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -70.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.123 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -68.99 -51.98 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.063 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.682 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.57 -45.96 87.08 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 38' ' ' SER . 59.2 t0 59.79 -55.16 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.682 ' N ' ' O ' ' A' ' 42' ' ' GLY . 32.9 t70 -178.0 42.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.654 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.443 ' C ' ' H ' ' A' ' 47' ' ' HIS . 5.0 m -124.19 -61.03 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.739 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.602 ' O ' ' SD ' ' A' ' 30' ' ' MET . 5.1 m-85 -77.91 29.73 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.583 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' A' ' 45' ' ' THR . 3.8 m170 -92.28 105.16 17.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.12 154.44 25.53 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.62 ' CD2' ' N ' ' A' ' 49' ' ' HIS . 5.1 p80 -140.27 155.61 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.19 124.28 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.176 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 6.4 m-20 -112.16 133.9 54.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.394 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -109.49 137.91 46.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.788 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.578 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -107.89 160.48 15.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.076 -179.543 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' MET . 2.3 ptt? -71.03 32.31 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.776 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -177.34 -31.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.425 -179.293 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.573 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 6.9 m -140.01 160.47 39.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.727 0.299 . . . . 0.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -110.33 145.66 37.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.86 156.07 35.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -140.55 138.98 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 4.0 tt0 -140.57 77.01 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.827 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.683 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 1.9 t80 -139.18 65.12 1.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.495 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.2 p 80.78 -16.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.37 174.21 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.717 " H3'" ' O1A' ' A' 1318 ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -141.68 127.04 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.489 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -45.34 94.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.584 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -156.55 -66.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 m -138.36 121.65 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' PRO . 13.0 ttmm -131.35 61.35 58.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.237 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.554 ' O ' ' O ' ' A' ' 8' ' ' CYS . 86.2 Cg_exo -38.32 164.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 123.166 2.577 . . . . 0.0 112.232 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.773 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 6.6 t -41.7 171.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.181 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.773 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 19.1 t -127.46 -33.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.771 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -13.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.352 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.807 ' O ' HG13 ' A' ' 13' ' ' VAL . 3.3 m -130.86 -34.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.28 3.05 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.796 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.807 HG13 ' O ' ' A' ' 11' ' ' CYS . 33.7 m -105.81 -2.09 9.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.661 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -134.53 157.72 76.72 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.656 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 55.0 Cg_endo -71.58 -72.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.715 2.277 . . . . 0.0 111.757 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 17' ' ' ASP . 12.0 mtt180 160.85 111.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.229 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.559 ' C ' ' O ' ' A' ' 16' ' ' ARG . 18.5 t70 -25.9 136.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.985 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 15.2 p90 -140.26 157.91 44.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 111.217 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.5 ttp85 -141.13 160.74 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.91 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.488 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 7.3 p -108.56 127.99 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.003 0.43 . . . . 0.0 110.462 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -133.97 101.7 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 61.76 -132.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -0.93 55.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.453 ' ND1' ' HG ' ' A' ' 53' ' ' LEU . 3.8 m-70 -112.73 156.56 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.437 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 2.8 mt -112.51 141.42 46.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.548 ' CZ ' ' O2A' ' A' 1318 ' ' ATP . 4.3 ttt180 -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.441 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -109.75 156.38 10.6 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.655 0 O-C-N 116.817 -3.677 . . . . 0.0 109.163 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CE1' ' C8 ' ' A' 1318 ' ' ATP . 35.2 m-85 -114.63 160.62 19.1 Favored 'General case' 1 C--N 1.214 -5.287 0 O-C-N 118.278 -2.764 . . . . 0.0 110.783 -179.211 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.444 ' C ' ' CG ' ' A' ' 30' ' ' MET . 8.3 m120 -76.54 -12.4 60.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.045 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.444 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 4.1 mtm -151.97 154.12 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.126 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.752 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 7.6 m -66.0 176.0 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.192 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.619 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 4.2 tttm -64.6 -40.27 95.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 110.149 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -67.84 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.752 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -54.06 -28.29 37.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.298 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -60.53 -51.41 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.593 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -66.25 -40.42 90.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -65.73 -36.67 84.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.862 179.228 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 34' ' ' CYS . 59.7 p -55.68 -29.96 60.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 39' ' ' ILE . 13.9 mm -65.79 -30.97 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.84 -69.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.179 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 m -68.03 -52.35 36.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.05 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.7 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.4 -48.18 71.56 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.2 t70 56.16 -65.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.869 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.7 ' N ' ' O ' ' A' ' 42' ' ' GLY . 76.3 m-20 -38.6 -72.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.673 ' O ' ' N ' ' A' ' 47' ' ' HIS . 7.1 t -176.4 -41.13 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.904 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.477 ' N ' HG23 ' A' ' 45' ' ' THR . 5.9 m-85 41.91 13.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.175 0.512 . . . . 0.0 109.688 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.673 ' N ' ' O ' ' A' ' 45' ' ' THR . 40.2 m170 -62.18 169.2 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.73 137.65 3.73 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.671 ' CE1' ' CD ' ' A' ' 60' ' ' GLU . 41.8 p-80 -141.46 159.5 42.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.278 0.561 . . . . 0.0 111.205 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.498 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.4 t -116.98 148.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 O-C-N 116.369 -3.957 . . . . 0.0 110.396 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 1.7 m-20 -127.31 142.3 51.49 Favored 'General case' 1 C--N 1.212 -5.382 0 O-C-N 117.993 -2.942 . . . . 0.0 110.693 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -111.87 138.77 48.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.767 HD23 ' H ' ' A' ' 54' ' ' MET . 0.4 OUTLIER -112.08 155.76 23.34 Favored 'General case' 1 C--N 1.162 -7.562 0 O-C-N 118.744 -2.473 . . . . 0.0 110.159 -179.665 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.767 ' H ' HD23 ' A' ' 53' ' ' LEU . 5.7 ptt? -53.59 -6.76 0.08 Allowed 'General case' 0 C--N 1.255 -3.519 0 O-C-N 120.387 -1.446 . . . . 0.0 111.043 -178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -166.76 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.687 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -137.57 163.13 31.94 Favored 'General case' 0 C--N 1.254 -3.565 1 O-C-N 115.213 -4.679 . . . . 0.0 111.264 179.542 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.83 130.53 47.06 Favored 'General case' 1 C--N 1.244 -4.01 1 O-C-N 115.486 -4.509 . . . . 0.0 110.156 179.262 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.06 153.69 37.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.498 ' CG ' HG22 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -140.03 141.75 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.482 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.671 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 1.2 pp20? -134.38 77.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.403 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.684 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER 170.41 -21.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.459 179.345 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -113.4 -14.55 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -166.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.529 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.581 ' C8 ' ' CE1' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 3' ' ' PHE . 1.7 m -82.66 152.45 25.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.527 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 2' ' ' SER . 16.8 m-85 -48.36 179.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.47 ' HG2' HH11 ' A' ' 4' ' ' ARG . 22.4 mtp85 59.78 88.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.508 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -109.46 89.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 7' ' ' PRO . 37.6 tttp -127.03 86.71 58.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' LYS . 35.6 Cg_exo -57.03 -152.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.804 2.336 . . . . 0.0 111.795 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.789 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -55.9 174.3 0.12 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.093 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.789 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 55.6 t -111.22 -26.77 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.409 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.501 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -90.12 -6.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.615 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.968 ' O ' HG13 ' A' ' 13' ' ' VAL . 3.3 m -139.45 -30.8 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.059 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp 50.25 5.1 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.26 0.552 . . . . 0.0 109.811 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.968 HG13 ' O ' ' A' ' 11' ' ' CYS . 19.1 m -105.33 -0.79 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.738 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.855 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -139.7 155.16 71.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 60.2 Cg_endo -76.11 -72.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.86 2.373 . . . . 0.0 112.556 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CG ' ' C ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 174.18 106.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.451 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 7.6 t70 -34.82 143.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.64 155.44 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.652 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -141.42 160.51 39.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.476 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 79.9 t -108.87 118.67 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.08 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -125.51 100.66 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.762 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 59.68 -134.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.19 -1.48 40.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.786 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -115.7 160.25 20.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.114 0.483 . . . . 0.0 111.313 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 25' ' ' LEU . 8.3 mp -109.01 161.14 15.44 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 5.4 ttt180 -133.21 119.44 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.123 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.25 146.21 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.605 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.652 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 m-30 -109.3 147.82 32.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.548 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -70.82 -21.03 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.466 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.0 mtm -131.5 147.19 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.855 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 2.3 m -65.01 169.06 5.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -53.24 -41.12 65.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -64.1 -65.94 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.779 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.1 p -60.12 -27.26 66.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.655 ' CE1' ' N7 ' ' A' 1318 ' ' ATP . 4.8 t80 -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -66.15 -42.34 89.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.1 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -67.09 -31.49 72.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.832 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 34' ' ' CYS . 27.3 p -60.19 -29.81 68.94 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.404 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.3 mt -65.99 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -78.55 -70.48 0.49 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.295 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.6 m -68.27 -52.28 35.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.706 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.33 -46.15 87.81 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 38' ' ' SER . 4.2 t0 59.82 -57.79 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.066 0.46 . . . . 0.0 110.391 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.6 p-10 -175.06 43.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.15 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.464 ' C ' ' H ' ' A' ' 47' ' ' HIS . 36.1 p -119.64 -73.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.046 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -71.75 17.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 45' ' ' THR . 19.8 p-80 -69.46 162.57 27.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.42 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 125.79 142.63 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.785 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 3.4 p-80 -133.65 159.25 41.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.82 148.48 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.468 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -133.65 139.09 46.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.477 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 6.7 m95 -112.88 143.32 44.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.964 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 55' ' ' TYR . 4.1 mt -109.7 77.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.5 ptt? 37.69 9.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.104 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.741 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER 178.16 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.346 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.712 ' OG1' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -109.33 160.07 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.941 0.401 . . . . 0.0 110.903 -179.549 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -111.2 136.74 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -126.6 160.46 30.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -136.49 139.48 42.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.7 tt0 -141.13 79.35 1.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.805 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.412 ' HB3' ' H ' ' A' ' 62' ' ' SER . 0.6 OUTLIER -64.96 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.222 -179.278 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.412 ' H ' ' HB3' ' A' ' 61' ' ' PHE . 91.1 p -90.54 154.11 19.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.44 . . . . 0.0 111.025 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.02 76.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.19 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.663 -179.809 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.655 ' N7 ' ' CE1' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.478 ' O ' ' OG ' ' A' ' 2' ' ' SER . 4.5 t -175.46 28.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.918 0.39 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 14.4 m-85 -141.56 30.95 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.58 -43.72 2.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.48 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 5' ' ' VAL . 28.7 m -103.96 127.76 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.745 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -93.89 -34.22 0.31 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.432 179.691 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.745 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 24.2 Cg_exo -60.21 175.7 0.98 Allowed 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.593 2.195 . . . . 0.0 111.092 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' C ' ' O ' ' A' ' 7' ' ' PRO . 2.7 t -37.04 146.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.613 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.6 p -150.14 -18.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.601 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.46 HG23 ' H ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -82.5 -4.83 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.01 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.69 ' O ' ' N ' ' A' ' 13' ' ' VAL . 1.7 m -134.53 -38.88 0.82 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.814 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' HG3' ' C ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 42.79 12.48 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.531 0.681 . . . . 0.0 109.306 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.69 ' N ' ' O ' ' A' ' 11' ' ' CYS . 2.3 p -111.84 -9.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.371 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.773 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -112.74 137.98 21.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.716 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.89 27.78 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.529 2.153 . . . . 0.0 111.614 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 14' ' ' ALA . 6.6 mtt180 64.16 103.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.078 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 16' ' ' ARG . 3.7 m-20 -29.62 135.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.278 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -140.23 160.75 39.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.286 0.565 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.662 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 1.6 ttp85 -139.58 159.75 41.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.153 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.45 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.9 113.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.971 0.415 . . . . 0.0 110.103 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.774 ' HZ1' ' NH2' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -109.18 118.99 38.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.016 -179.22 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 42.63 -90.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.241 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 8.0 mtt-85 -123.78 1.04 8.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.651 0.262 . . . . 0.0 111.424 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.469 ' CG ' ' HG ' ' A' ' 53' ' ' LEU . 2.4 m-70 -109.72 159.07 17.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 6.5 mp -109.12 129.79 55.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.774 ' NH2' ' HZ1' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -109.15 128.74 55.27 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.326 -178.849 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -109.33 160.36 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.138 179.019 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.662 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 48.3 m-85 -123.03 121.0 35.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.226 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.629 ' C ' ' SD ' ' A' ' 30' ' ' MET . 5.6 m120 -48.96 -8.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.463 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.629 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 5.1 mpp? -155.54 138.83 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.691 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 10.3 m -63.79 172.28 2.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.206 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -54.21 -42.97 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.649 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -65.75 -70.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.747 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.4 p -55.32 -27.0 44.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.616 ' HB2' HN62 ' A' 1318 ' ' ATP . 24.4 t80 -56.98 -49.77 74.71 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.62 -42.58 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.156 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -67.07 -35.2 79.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.555 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 34' ' ' CYS . 90.7 p -56.93 -29.23 62.94 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 6.6 mt -65.43 -32.4 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -79.28 -68.43 0.66 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.227 -1.351 . . . . 0.0 109.465 178.16 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -67.63 -51.8 45.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.017 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -63.67 -49.63 67.51 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.566 ' O ' ' C ' ' A' ' 44' ' ' ASP . 33.4 t70 51.78 -66.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.401 -0.399 . . . . 0.0 111.437 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 37.2 t0 -20.99 -72.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.913 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.658 ' O ' ' N ' ' A' ' 47' ' ' HIS . 66.6 p -146.9 -8.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.104 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 45' ' ' THR . 19.2 p90 33.66 26.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.63 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.693 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -122.49 151.43 41.33 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.458 ' C ' ' OD1' ' A' ' 29' ' ' ASN . . . 149.61 125.24 1.35 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.993 ' CD2' " H3'" ' A' 1318 ' ' ATP . 0.0 OUTLIER -141.37 160.49 40.01 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.183 0.516 . . . . 0.0 111.242 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.81 135.42 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 4.8 m-20 -124.01 127.86 48.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.018 0.437 . . . . 0.0 110.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -109.83 130.08 55.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.553 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.651 ' N ' HD12 ' A' ' 53' ' ' LEU . 5.5 mp -107.97 160.65 15.61 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.224 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.8 ptm -71.92 22.94 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.595 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -166.89 -25.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.78 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.54 ' H ' ' HB2' ' A' ' 53' ' ' LEU . 5.6 p -137.09 160.83 37.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.368 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 23.9 p30 -115.87 131.95 56.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.174 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -116.23 142.34 46.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -140.57 136.23 32.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.603 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 4.2 tt0 -138.87 78.05 1.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.263 0.554 . . . . 0.0 109.635 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.603 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 7.5 t80 90.56 58.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.047 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -17.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.534 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.645 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 6.1 t -41.56 116.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.446 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.405 ' C ' ' NZ ' ' A' ' 6' ' ' LYS . 71.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.993 " H3'" ' CD2' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -78.68 -71.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.508 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -162.11 163.77 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.419 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.629 ' C ' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 71.62 -150.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.389 -179.818 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.501 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 2.6 t 64.58 -15.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.44 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.629 ' H ' ' C ' ' A' ' 4' ' ' ARG . 44.4 mtmt 34.34 67.82 1.21 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.571 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 8' ' ' CYS . 26.0 Cg_endo -64.75 165.73 20.1 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.503 2.135 . . . . 0.0 111.845 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 14.1 t -39.34 169.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.488 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.717 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 32.8 m -134.04 -24.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -10.33 13.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.687 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.4 m -137.4 -33.45 0.74 Allowed 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.67 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mttp 47.31 6.54 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.323 0.582 . . . . 0.0 110.125 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.687 ' H ' ' C ' ' A' ' 11' ' ' CYS . 9.6 m -105.87 -2.35 9.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.062 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.783 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -134.39 158.08 76.0 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 59.9 Cg_endo -76.21 -72.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.764 2.309 . . . . 0.0 112.222 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.77 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 8.0 mtp180 160.34 109.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.194 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 16' ' ' ARG . 6.9 t70 -32.17 143.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 p90 -140.68 159.71 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.187 0.518 . . . . 0.0 111.501 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -142.83 158.91 43.16 Favored 'General case' 1 C--N 1.429 4.064 0 O-C-N 116.791 -3.693 . . . . 0.0 110.164 179.907 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -105.95 124.25 61.02 Favored 'Isoleucine or valine' 1 C--N 1.139 -8.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.124 -179.963 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.677 ' O ' ' N ' ' A' ' 24' ' ' HIS . 18.6 ttmt -136.2 139.97 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.543 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.668 ' C ' ' H ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER 22.74 83.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.175 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 46.4 2.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.412 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.677 ' N ' ' O ' ' A' ' 21' ' ' LYS . 2.9 m-70 -113.25 157.83 21.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.947 0.404 . . . . 0.0 110.805 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 4.0 mm? -109.09 117.92 35.43 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.686 ' CZ ' ' O3B' ' A' 1318 ' ' ATP . 2.5 ttp85 -95.25 122.52 38.03 Favored 'General case' 1 C--N 1.167 -7.329 0 O-C-N 117.673 -3.142 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -108.27 165.06 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 3 O-C-N 110.476 -7.64 . . . . 0.0 109.444 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.77 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 54.9 m-85 -119.89 159.88 23.78 Favored 'General case' 1 C--N 1.43 4.082 0 O-C-N 120.524 -1.36 . . . . 0.0 110.772 -178.798 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.419 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 2.7 m120 -87.43 9.77 19.67 Favored 'General case' 1 C--N 1.221 -5.013 1 O-C-N 130.18 4.675 . . . . 0.0 110.959 -179.461 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtm -162.83 142.25 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.696 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.783 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 3.3 m -64.22 -178.56 0.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.77 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.1 OUTLIER -65.19 -41.88 94.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.814 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 34' ' ' CYS . 1.3 m -65.27 -61.82 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.53 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.4 p -60.2 -28.73 68.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 2.3 t80 -59.87 -45.17 93.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.37 -40.38 89.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.188 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.0 t30 -65.97 -36.49 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.501 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLY . 38.3 p -55.08 -30.31 59.4 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 6.4 mt -66.3 -28.92 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.2 mmmp? -78.44 -68.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.223 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.4 m -67.91 -53.02 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.688 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.88 -50.87 50.41 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' SER . 50.4 t0 55.64 -65.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.881 0.372 . . . . 0.0 111.276 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.688 ' N ' ' O ' ' A' ' 42' ' ' GLY . 65.0 t0 -130.98 73.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.668 ' C ' ' H ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -135.25 -24.98 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.101 179.534 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.74 ' O ' " H1'" ' A' 1318 ' ' ATP . 25.9 m-85 52.54 -0.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.244 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.753 ' ND1' ' N3 ' ' A' 1318 ' ' ATP . 0.1 OUTLIER 29.95 -154.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.853 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' H ' ' HB2' ' A' ' 47' ' ' HIS . . . -136.56 174.13 21.7 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.258 -178.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.614 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.47 160.91 38.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.506 . . . . 0.0 110.058 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.2 t -114.06 130.81 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.585 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -113.37 127.79 56.25 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.472 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.544 ' CE2' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -109.69 136.24 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.864 179.751 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.581 ' C ' ' H ' ' A' ' 55' ' ' TYR . 4.3 mp -108.51 160.24 16.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.579 ' O ' ' SD ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -72.49 33.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.581 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -172.94 -32.83 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.33 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -140.68 162.39 35.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' OD2' ' CE2' ' A' ' 52' ' ' TRP . 24.1 t0 -109.07 145.3 35.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.122 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -126.71 157.25 39.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.799 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -140.28 138.82 35.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.594 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -140.66 78.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.992 179.111 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -55.66 -46.74 77.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 63' ' ' SER . 73.2 m -135.37 -103.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.664 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 62' ' ' SER . 1.0 OUTLIER 76.2 89.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.531 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.633 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.753 ' N3 ' ' ND1' ' A' ' 47' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -158.12 132.12 7.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.794 0.33 . . . . 0.0 110.594 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -64.77 -65.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 5' ' ' VAL . 29.9 mtp180 -88.39 112.83 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.554 ' O ' ' O ' ' A' ' 4' ' ' ARG . 25.0 t -31.96 -98.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.657 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 8' ' ' CYS . 2.3 tttp -168.53 119.29 0.65 Allowed Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.751 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.589 ' O ' ' O ' ' A' ' 8' ' ' CYS . 89.2 Cg_exo -41.84 84.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.557 2.171 . . . . 0.0 112.13 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 3.6 t 47.89 171.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.774 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -135.04 -28.4 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.471 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -9.6 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.149 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.675 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.6 m -139.08 -35.25 0.56 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.873 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.02 6.31 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.269 0.557 . . . . 0.0 110.106 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.675 ' H ' ' C ' ' A' ' 11' ' ' CYS . 8.1 m -106.48 -1.57 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.421 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.599 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -128.5 154.51 79.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.0 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 36.5 Cg_endo -67.37 -76.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.925 2.417 . . . . 0.0 111.544 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER 164.49 104.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.228 179.588 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.642 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 11.8 m-20 -32.03 133.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 p90 -140.95 158.64 43.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.659 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -140.94 161.96 36.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.107 -179.443 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.531 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 2.4 m -108.06 114.83 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.431 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.651 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 2.1 tppt? -118.29 107.57 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.632 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 56.51 -110.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.651 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -107.38 -1.37 21.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.706 -179.725 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.631 ' ND1' ' HG ' ' A' ' 53' ' ' LEU . 3.4 m-70 -109.21 156.87 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 110.99 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.659 ' NH2' ' PB ' ' A' 1318 ' ' ATP . 11.6 ttm-85 -108.72 123.36 48.88 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.011 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -109.23 153.98 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.438 179.383 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.659 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 38.4 m-85 -113.1 150.19 32.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.494 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -75.33 -12.35 60.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.534 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 65.1 mtm -145.47 143.23 29.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.774 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.1 m -64.11 171.82 2.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.709 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.642 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 15.6 tttm -54.96 -47.04 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -61.88 -65.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 8.4 p -59.01 -28.24 66.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.758 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' O ' ' OG ' ' A' ' 38' ' ' SER . 8.5 t80 -58.4 -49.39 77.45 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.09 -43.23 87.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.377 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.4 -31.17 71.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.123 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 34' ' ' CYS . 79.8 p -64.76 -29.73 70.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.258 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 35' ' ' PHE . 2.7 mt -65.97 -34.09 67.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -66.84 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.115 -1.402 . . . . 0.0 109.652 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 m -67.82 -51.76 44.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.739 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.27 -52.95 35.96 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' C ' ' A' ' 44' ' ' ASP . 67.9 t0 52.25 -65.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.528 -0.336 . . . . 0.0 111.395 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 42' ' ' GLY . 13.0 t70 -2.01 -69.85 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.614 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 44' ' ' ASP . 7.0 p -159.29 -172.83 3.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.385 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.581 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -62.18 -13.73 30.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.208 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.581 ' ND1' ' O ' ' A' ' 46' ' ' TYR . 10.1 m80 89.87 -147.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.795 0.685 . . . . 0.0 111.226 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -151.88 158.16 27.63 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.04 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.713 ' CE1' " H3'" ' A' 1318 ' ' ATP . 11.3 p-80 -133.43 161.47 34.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.345 -0.428 . . . . 0.0 110.774 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.44 136.53 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -118.48 144.92 45.66 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 143.97 44.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.631 ' HG ' ' ND1' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -112.67 66.94 0.65 Allowed 'General case' 1 C--N 1.241 -4.114 2 O-C-N 112.447 -6.408 . . . . 0.0 110.873 -179.746 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.651 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER 33.72 38.12 0.02 OUTLIER 'General case' 1 C--N 1.201 -5.891 0 O-C-N 119.828 -1.795 . . . . 0.0 110.359 177.783 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.651 ' CD1' ' O ' ' A' ' 54' ' ' MET . 0.8 OUTLIER 155.02 -37.6 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 O-C-N 124.062 0.852 . . . . 0.0 111.181 -179.701 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -106.75 164.41 12.12 Favored 'General case' 0 C--N 1.272 -2.801 2 O-C-N 112.178 -6.577 . . . . 0.0 110.966 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -119.32 144.86 46.6 Favored 'General case' 1 C--N 1.146 -8.269 0 O-C-N 116.934 -3.604 . . . . 0.0 110.655 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.49 160.66 38.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -135.82 144.44 45.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -139.09 78.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.209 0.528 . . . . 0.0 110.372 179.54 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 2.8 t80 90.53 26.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.567 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.63 -16.85 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.38 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.74 167.45 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.586 -179.881 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.713 " H3'" ' CE1' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.567 ' C ' ' H ' ' A' ' 3' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.572 ' O ' ' OG ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -70.56 28.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.567 ' H ' ' C ' ' A' ' 1' ' ' GLY . 44.1 t80 -81.69 -55.19 4.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.661 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.15 94.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.769 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 6' ' ' LYS . 7.0 p -72.85 158.52 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.069 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.58 ' O ' ' O ' ' A' ' 7' ' ' PRO . 8.6 tttt -168.8 117.69 0.6 Allowed Pre-proline 0 C--N 1.328 -0.348 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.66 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.58 ' O ' ' O ' ' A' ' 6' ' ' LYS . 50.2 Cg_exo -47.72 -163.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.231 1.954 . . . . 0.0 112.102 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.861 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -52.61 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.473 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 8' ' ' CYS . 33.4 t 132.69 23.79 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.702 ' C ' ' H ' ' A' ' 12' ' ' LYS . 2.1 t 75.23 -20.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.945 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.632 ' C ' ' H ' ' A' ' 13' ' ' VAL . 1.2 m 52.27 7.89 0.07 Allowed 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.702 ' H ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 49.03 12.43 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.108 -178.693 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.632 ' H ' ' C ' ' A' ' 11' ' ' CYS . 1.6 p -116.75 -4.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.447 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -177.58 154.34 1.03 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.463 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 16' ' ' ARG . 91.4 Cg_endo -87.32 54.63 2.81 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.701 2.267 . . . . 0.0 111.847 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 32.63 90.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.17 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.692 ' OD2' ' CD2' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -16.59 135.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.044 -179.145 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -139.89 160.27 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.247 0.546 . . . . 0.0 111.371 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 3.4 ttp85 -140.81 161.72 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.153 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.48 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.5 p -107.55 130.07 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' NZ ' ' O3G' ' A' 1318 ' ' ATP . 9.8 ttmt -137.11 90.13 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.993 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.41 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 40.6 t-20 66.99 -130.12 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.75 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 27.7 mtm180 -87.36 -2.71 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.013 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 7.5 m-70 -108.93 160.6 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.138 0.494 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.5 mp -108.14 161.28 15.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.81 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -138.31 123.72 19.47 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.497 -179.447 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.525 HG23 ' N ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -111.49 165.26 6.73 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.838 0 O-C-N 117.086 -3.508 . . . . 0.0 110.141 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.757 ' CE2' ' N7 ' ' A' 1318 ' ' ATP . 2.7 m-30 -115.03 121.1 42.07 Favored 'General case' 1 C--N 1.211 -5.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.013 179.537 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 8' ' ' CYS . 18.0 m-20 -38.91 -15.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.424 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.673 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -154.91 146.05 22.77 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.531 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 3.9 m -66.06 165.27 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.453 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -55.21 -38.69 68.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.229 179.22 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -67.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.534 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.624 ' O ' ' N ' ' A' ' 38' ' ' SER . 6.0 p -63.09 -27.91 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.675 ' HB2' HN62 ' A' 1318 ' ' ATP . 19.9 t80 -57.49 -47.3 82.28 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.7 m-80 -65.41 -42.05 92.96 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.784 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.83 74.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.771 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 34' ' ' CYS . 12.6 p -61.38 -29.76 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.356 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.5 mm -66.45 -29.71 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -69.94 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.38 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 m -68.58 -52.69 28.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.978 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.71 -50.99 50.72 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' SER . 12.1 t70 57.35 -58.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.754 0.311 . . . . 0.0 110.98 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 46.0 t0 -142.24 65.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.609 ' C ' ' H ' ' A' ' 47' ' ' HIS . 5.5 t -175.99 170.69 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.815 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.463 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 8.5 m-85 63.91 -18.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.009 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.609 ' H ' ' C ' ' A' ' 45' ' ' THR . 41.2 m80 -55.8 91.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.232 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.12 170.99 42.3 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.81 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -140.76 159.07 42.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.408 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.496 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -119.28 140.7 42.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 116.466 -3.896 . . . . 0.0 110.164 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -125.38 140.83 52.46 Favored 'General case' 1 C--N 1.206 -5.635 0 O-C-N 119.061 -2.274 . . . . 0.0 111.27 -179.872 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 144.48 37.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.331 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 24' ' ' HIS . 1.1 tp -112.92 169.52 8.86 Favored 'General case' 1 C--N 1.169 -7.255 0 O-C-N 118.738 -2.476 . . . . 0.0 110.783 -178.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -60.95 -1.07 0.37 Allowed 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.971 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 1.7 p90 -176.23 0.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.195 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.494 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -135.16 160.04 39.64 Favored 'General case' 0 C--N 1.277 -2.546 1 O-C-N 115.393 -4.567 . . . . 0.0 110.895 179.386 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.25 147.36 35.19 Favored 'General case' 0 C--N 1.249 -3.767 1 O-C-N 115.122 -4.736 . . . . 0.0 110.079 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -130.5 154.41 47.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.923 0.392 . . . . 0.0 110.819 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 24.7 mttp -140.45 139.18 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.855 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 14.6 tt0 -140.92 78.85 1.67 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.509 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -96.97 -63.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.524 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.1 p -101.49 139.39 37.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -169.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.48 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.757 ' N7 ' ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.673 ' O ' ' CD1' ' A' ' 3' ' ' PHE . 67.4 m -88.53 147.79 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 110.594 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.673 ' CD1' ' O ' ' A' ' 2' ' ' SER . 30.3 m-85 -146.57 27.98 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.683 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' CG ' ' H ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER 59.62 -148.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.445 ' H ' ' CG ' ' A' ' 4' ' ' ARG . 13.3 m -133.24 -161.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.428 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.54 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 8.0 mttt -109.61 -53.38 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.594 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.54 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 31.5 Cg_exo -54.9 -169.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.33 2.02 . . . . 0.0 111.598 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' A' ' 30' ' ' MET . 4.4 m -90.35 -173.78 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.236 0.541 . . . . 0.0 110.347 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.795 ' C ' HG23 ' A' ' 10' ' ' VAL . 8.5 p -152.8 39.52 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.795 HG23 ' C ' ' A' ' 9' ' ' VAL . 1.8 t 78.17 -17.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 113.953 -1.476 . . . . 0.0 108.212 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.643 ' HB3' HG12 ' A' ' 13' ' ' VAL . 23.6 m 47.55 13.99 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.662 ' N ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 43.6 14.51 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 113.441 -1.709 . . . . 0.0 109.366 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.643 HG12 ' HB3' ' A' ' 11' ' ' CYS . 6.0 p -129.73 5.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 113.826 -1.534 . . . . 0.0 108.965 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 31' ' ' CYS . . . -172.25 153.95 3.15 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.181 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.669 ' O ' ' N ' ' A' ' 17' ' ' ASP . 47.8 Cg_endo -92.2 84.62 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.954 2.436 . . . . 0.0 112.93 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.616 ' C ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -17.38 82.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.132 179.772 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.669 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -16.61 119.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.716 -179.38 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.531 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -140.99 157.94 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.471 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.7 ttp85 -141.64 161.81 37.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.538 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -106.74 125.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 109.935 -179.701 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 24' ' ' HIS . 5.5 ttmt -128.35 161.2 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.128 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.69 ' C ' ' H ' ' A' ' 24' ' ' HIS . 30.9 m-20 -10.47 91.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.449 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 7.6 mtm105 46.64 1.35 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.452 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.699 ' N ' ' O ' ' A' ' 21' ' ' LYS . 4.1 m-70 -109.92 162.01 14.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.277 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mp -106.8 160.1 15.74 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.687 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 19.4 ttt85 -136.44 117.03 13.87 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.03 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.57 156.41 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.758 ' CE2' ' N7 ' ' A' 1318 ' ' ATP . 4.9 m-30 -108.44 129.93 55.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.486 ' C ' ' CG ' ' A' ' 30' ' ' MET . 2.6 m120 -42.74 -17.1 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.566 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -157.43 149.74 22.74 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.356 -0.537 . . . . 0.0 111.267 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HA ' ' H ' ' A' ' 17' ' ' ASP . 3.6 m -66.46 172.74 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.449 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 7.5 ttpt -58.07 -45.41 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.703 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.97 -67.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -52.8 -27.85 19.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.253 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.579 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -61.62 -45.12 95.41 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.4 m-80 -64.05 -39.65 94.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.737 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.26 -30.39 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.446 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 43' ' ' ASP . 4.9 p -65.03 -29.59 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.021 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.8 mt -66.37 -29.78 47.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -70.75 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.359 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -68.78 -52.68 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.854 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.42 -48.5 68.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 38' ' ' SER . 5.4 t70 58.18 -60.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 0.0 110.501 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.5 t0 -158.45 56.8 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.307 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.889 ' O ' HG23 ' A' ' 45' ' ' THR . 12.8 t -174.53 77.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.586 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' CD2' ' O ' ' A' ' 45' ' ' THR . 0.5 OUTLIER 168.85 -16.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.129 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.597 ' ND1' ' N ' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -62.46 105.01 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.484 179.752 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.8 162.16 34.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.687 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 1.7 p-80 -139.96 160.28 40.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 0.0 110.742 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.484 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -117.56 142.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.009 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -126.97 135.31 50.7 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.023 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.533 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -109.78 139.59 44.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.83 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.593 ' N ' HD12 ' A' ' 53' ' ' LEU . 6.9 mp -112.88 162.24 16.05 Favored 'General case' 1 C--N 1.175 -7.017 0 O-C-N 117.525 -3.234 . . . . 0.0 110.416 -179.706 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -10.29 0.12 Allowed 'General case' 0 C--N 1.247 -3.881 0 O-C-N 120.887 -1.133 . . . . 0.0 110.701 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -169.97 11.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.116 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.65 33.85 Favored 'General case' 0 C--N 1.266 -3.034 1 O-C-N 114.409 -5.182 . . . . 0.0 111.02 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -133.12 129.11 37.48 Favored 'General case' 1 C--N 1.221 -5.021 1 O-C-N 115.536 -4.477 . . . . 0.0 110.214 179.443 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.55 160.29 32.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.33 144.08 49.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.386 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -140.51 79.43 1.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.45 179.655 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -99.61 161.21 13.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.412 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -61.99 96.46 0.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.816 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.12 -11.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.354 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.536 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.758 ' N7 ' ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -113.21 101.45 9.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.709 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.479 ' O ' ' O ' ' A' ' 4' ' ' ARG . 59.0 m-85 -81.88 17.6 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.599 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER 52.61 165.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.515 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 t -92.25 146.8 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -114.65 149.09 41.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.33 -27.19 71.45 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.631 2.221 . . . . 0.0 111.638 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.816 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER 171.38 174.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.909 179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.816 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 3.1 p 173.37 60.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.787 HG23 ' C ' ' A' ' 9' ' ' VAL . 2.4 t 85.96 -6.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -176.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.685 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 66.65 32.98 6.7 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.803 177.377 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' CG ' ' HB ' ' A' ' 10' ' ' VAL . 11.7 mtmt -76.1 -7.79 55.54 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -147.36 13.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.025 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . . . -113.32 83.83 6.97 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.431 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 16' ' ' ARG . 32.7 Cg_endo -72.43 13.13 0.58 Allowed 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.198 1.932 . . . . 0.0 110.519 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' CE3' ' A' ' 18' ' ' TRP . 1.5 tmm_? -26.55 -69.9 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.558 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -71.79 105.65 3.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.364 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.595 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 2.4 p90 -141.72 161.53 37.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.508 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 5.8 ttp85 -140.69 162.2 35.95 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 116.403 -3.936 . . . . 0.0 110.151 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' CD2' ' A' ' 25' ' ' LEU . 43.4 t -110.11 115.6 50.14 Favored 'Isoleucine or valine' 1 C--N 1.216 -5.217 0 O-C-N 118.191 -2.818 . . . . 0.0 110.788 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' NZ ' ' O3G' ' A' 1318 ' ' ATP . 20.1 ttmt -119.64 119.07 32.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 47.82 -134.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.287 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 3.24 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 21' ' ' LYS . 2.7 m-70 -109.7 156.04 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.552 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.535 ' CD2' HG22 ' A' ' 20' ' ' VAL . 12.0 mt -109.28 139.02 44.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.784 ' NH1' ' CG ' ' A' ' 49' ' ' HIS . 4.6 ttm-85 -109.24 125.28 52.1 Favored 'General case' 0 C--N 1.248 -3.82 0 O-C-N 116.72 -3.738 . . . . 0.0 110.854 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 2.4 mt -113.82 158.62 14.1 Favored 'Isoleucine or valine' 1 C--N 1.188 -6.447 0 O-C-N 120.21 -1.556 . . . . 0.0 109.527 178.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.531 ' CD1' ' C5 ' ' A' 1318 ' ' ATP . 41.0 m-85 -115.71 157.88 23.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.389 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 5.7 m-80 -81.24 1.71 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.423 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.583 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 4.7 mpp? -153.93 132.33 12.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.381 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.611 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.9 m -53.29 164.33 0.47 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.14 -43.45 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.73 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -67.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.546 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -58.9 -27.46 65.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.744 ' CG ' ' N6 ' ' A' 1318 ' ' ATP . 3.2 t80 -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.4 -40.11 93.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.46 -29.67 69.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.33 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.671 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -65.04 -28.89 69.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.798 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 39' ' ' ILE . 16.1 mt -65.21 -28.98 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -71.77 0.4 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.879 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m -70.19 -51.89 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.212 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.74 -40.12 95.58 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.585 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.666 ' N ' ' O ' ' A' ' 38' ' ' SER . 18.7 t70 61.03 -56.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.813 0.339 . . . . 0.0 110.548 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.663 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER 176.98 39.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.54 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 47' ' ' HIS . 32.5 p -102.77 -71.84 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.819 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.93 27.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.711 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.639 ' CE1' ' O ' ' A' ' 44' ' ' ASP . 40.9 p-80 -74.24 109.57 7.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.587 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.609 ' O ' ' ND2' ' A' ' 29' ' ' ASN . . . -173.1 154.15 19.89 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.784 ' CG ' ' NH1' ' A' ' 26' ' ' ARG . 9.4 p-80 -134.22 160.19 38.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.566 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.568 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.0 t -116.78 138.77 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.49 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.686 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -120.97 135.26 55.25 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.495 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.436 ' C ' HD12 ' A' ' 53' ' ' LEU . 7.5 m95 -109.64 140.56 43.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.691 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 53' ' ' LEU . 7.6 mp -110.75 168.08 9.75 Favored 'General case' 1 C--N 1.192 -6.262 0 O-C-N 118.015 -2.928 . . . . 0.0 110.547 -179.604 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -1.14 0.1 Allowed 'General case' 0 C--N 1.27 -2.849 0 O-C-N 121.495 -0.753 . . . . 0.0 111.237 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.681 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 1.2 p90 -177.03 5.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.251 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.35 162.35 33.82 Favored 'General case' 0 C--N 1.276 -2.621 1 O-C-N 115.391 -4.568 . . . . 0.0 111.074 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -114.01 139.37 49.32 Favored 'General case' 1 C--N 1.235 -4.406 0 O-C-N 116.449 -3.907 . . . . 0.0 110.316 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -131.22 153.08 49.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.739 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.568 ' HG3' HG22 ' A' ' 50' ' ' VAL . 9.0 mtmt -141.02 145.02 35.36 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.23 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.49 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 2.2 tt0 -140.75 79.0 1.68 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.108 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 19.9 t80 -99.99 130.69 46.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.555 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.63 ' O ' ' NE2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -115.42 152.44 32.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.725 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.616 ' OG ' ' N ' ' A' ' 64' ' ' THR . 0.9 OUTLIER -137.12 -151.39 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.616 ' N ' ' OG ' ' A' ' 63' ' ' SER . 10.1 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.579 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.744 ' N6 ' ' CG ' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.13 -171.92 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 112.5 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.528 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -106.39 -40.89 5.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' LYS . 2.3 m -124.57 147.98 28.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.437 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' VAL . 1.2 tppm? -37.64 118.48 0.88 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.462 ' O ' ' O ' ' A' ' 8' ' ' CYS . 36.5 Cg_endo -69.93 163.31 38.9 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.939 1.76 . . . . 0.0 111.897 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.955 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER 52.2 171.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.839 -179.56 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 8' ' ' CYS . 8.6 t -174.5 60.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.795 HG23 ' C ' ' A' ' 9' ' ' VAL . 2.1 t 83.12 -4.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 -176.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.706 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 65.39 11.28 7.22 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 112.892 -1.958 . . . . 0.0 111.821 177.416 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HD2' HG11 ' A' ' 10' ' ' VAL . 43.2 mtpt -71.01 -2.88 16.88 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.879 0.847 . . . . 0.0 108.754 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -142.65 8.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 114.043 -1.435 . . . . 0.0 108.933 179.227 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.643 ' C ' ' H ' ' A' ' 16' ' ' ARG . . . -128.96 63.2 65.88 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.989 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.629 ' O ' ' N ' ' A' ' 17' ' ' ASP . 7.3 Cg_endo -54.32 3.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.559 2.173 . . . . 0.0 111.618 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.643 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -11.99 -53.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.792 -179.725 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.629 ' N ' ' O ' ' A' ' 15' ' ' PRO . 25.8 t0 -83.29 108.73 16.7 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.797 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -140.17 160.26 40.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.156 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.604 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 5.8 ttp85 -141.05 161.62 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.13 127.5 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.771 ' HZ2' HH22 ' A' ' 26' ' ' ARG . 6.7 ttmt -129.81 99.76 5.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 61.65 -119.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -95.02 -5.44 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.298 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.61 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.3 m-70 -109.32 159.45 16.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 0.0 110.928 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD12 ' C ' ' A' ' 24' ' ' HIS . 9.7 mp -109.32 138.5 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.771 HH22 ' HZ2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -108.92 124.75 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.888 -179.338 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -111.24 158.56 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.338 179.096 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.604 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 31.9 m-85 -117.48 159.73 22.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.607 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.514 ' C ' ' SD ' ' A' ' 30' ' ' MET . 3.2 m120 -88.46 4.59 45.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.645 ' SD ' ' H2 ' ' A' 1318 ' ' ATP . 3.4 mpp? -150.59 119.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.136 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 m -43.07 169.26 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.969 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 2.4 tmtp? -59.76 -41.1 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 110.27 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -65.65 -66.35 0.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.341 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.684 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.21 -27.75 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.816 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.685 ' CD1' ' N6 ' ' A' 1318 ' ' ATP . 4.3 t80 -54.57 -47.88 72.75 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 5.7 m-80 -65.87 -43.44 88.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.024 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -31.03 71.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.843 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.8 p -59.12 -29.36 67.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 13.8 mm -65.64 -29.36 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.4 -71.27 0.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.142 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -69.17 -52.97 22.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.063 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.692 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.27 -45.92 89.1 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.674 ' N ' ' O ' ' A' ' 38' ' ' SER . 6.1 t70 60.06 -56.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 0.0 110.6 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.692 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -175.4 41.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.577 ' C ' ' H ' ' A' ' 47' ' ' HIS . 8.3 m -115.51 -69.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.663 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.454 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 10.5 m-85 -66.11 14.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.577 ' H ' ' C ' ' A' ' 45' ' ' THR . 1.3 m80 -66.79 108.53 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.27 151.66 15.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.708 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -140.34 160.16 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.385 179.747 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.532 ' CG1' ' HE1' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -119.64 146.48 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 -179.721 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.52 ' OD1' ' CD ' ' A' ' 60' ' ' GLU . 1.8 m-20 -128.24 135.71 50.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.638 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.532 ' HE1' ' CG1' ' A' ' 50' ' ' VAL . 15.6 m95 -110.12 140.3 44.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.101 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' A' ' 55' ' ' TYR . 5.5 mp -109.25 78.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.819 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.6 ptt? 38.26 9.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.153 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.719 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER 175.92 -20.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.456 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.42 159.49 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.62 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.05 136.15 49.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.06 160.35 39.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -124.07 143.97 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.623 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 3.8 pt-20 -140.4 78.35 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.964 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -61.6 -9.83 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.448 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.51 ' O ' ' OG ' ' A' ' 62' ' ' SER . 0.1 OUTLIER 63.25 101.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.481 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.551 ' O ' ' OG1' ' A' ' 64' ' ' THR . 0.1 OUTLIER 179.67 122.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 63' ' ' SER . 99.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.685 ' N6 ' ' CD1' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 3' ' ' PHE . 0.1 OUTLIER -115.54 137.59 51.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' A' ' 2' ' ' SER . 12.7 m-85 42.17 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.441 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.36 22.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.7 p -116.63 54.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.776 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.589 ' O ' ' O ' ' A' ' 7' ' ' PRO . 6.6 pttt 29.55 95.53 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.402 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.589 ' O ' ' O ' ' A' ' 6' ' ' LYS . 50.1 Cg_exo -49.9 -141.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.816 2.344 . . . . 0.0 112.238 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.645 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 1.9 t -34.75 162.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.281 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 9' ' ' VAL . 2.3 p 174.06 6.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.99 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.79 ' O ' ' N ' ' A' ' 14' ' ' ALA . 2.3 t -123.49 -4.34 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.641 ' C ' ' H ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -42.66 -44.86 4.46 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.295 -179.436 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' C ' HG22 ' A' ' 13' ' ' VAL . 3.5 mttm -53.64 -8.52 0.16 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.73 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -155.94 19.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 113.56 -1.654 . . . . 0.0 107.816 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.79 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 13.06 -73.71 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 114.443 -1.253 . . . . 0.0 112.642 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.728 ' CD ' ' HB3' ' A' ' 14' ' ' ALA . 76.3 Cg_exo -19.33 74.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.897 2.398 . . . . 0.0 112.788 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.731 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -118.36 -80.18 0.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.911 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 32' ' ' LYS . 1.4 m-20 -55.07 126.53 25.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.324 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -140.15 164.1 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.12 168.7 19.73 Favored 'General case' 0 C--N 1.281 -2.372 3 O-C-N 108.88 -8.637 . . . . 0.0 110.241 -178.17 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -115.61 133.78 60.91 Favored 'Isoleucine or valine' 1 C--N 1.092 -10.627 2 O-C-N 112.764 -6.21 . . . . 0.0 110.546 -178.821 . . . . . . . . 5 4 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.668 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -138.58 114.62 10.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.584 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 47.5 t-20 48.26 -127.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 7.0 mtm180 -88.86 2.68 53.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.605 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.6 m-70 -116.38 156.97 25.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.102 0.477 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 24' ' ' HIS . 4.4 mm? -109.4 136.49 48.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.668 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -107.06 118.19 36.04 Favored 'General case' 0 C--N 1.281 -2.385 0 O-C-N 121.029 -1.044 . . . . 0.0 111.162 -179.044 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 3.3 mt -108.62 154.9 9.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.624 -1.297 . . . . 0.0 109.62 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE1' ' C8 ' ' A' 1318 ' ' ATP . 37.5 m-85 -111.63 156.52 21.69 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.921 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 30' ' ' MET . 61.8 m-20 -96.28 52.11 1.24 Allowed 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.646 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.578 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 2.2 mtp 157.23 141.23 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.607 0.718 . . . . 0.0 110.566 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.673 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -66.47 157.87 30.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.008 -179.718 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.2 ttpp -44.74 -36.84 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.512 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 34' ' ' CYS . 4.9 m -65.49 -70.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.673 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.85 -28.74 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.443 ' HB2' ' N6 ' ' A' 1318 ' ' ATP . 26.7 t80 -62.9 -46.35 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -66.21 -42.06 89.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.276 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -34.23 77.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.827 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.7 p -58.47 -29.8 66.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.21 -30.83 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -71.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.316 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.8 m -69.23 -52.67 25.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.352 -1.294 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.702 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.58 -44.03 93.48 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.347 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.1 t0 60.85 -51.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.03 0.443 . . . . 0.0 110.032 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.702 ' N ' ' O ' ' A' ' 42' ' ' GLY . 16.4 t70 -164.36 55.54 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.202 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.619 ' C ' ' H ' ' A' ' 47' ' ' HIS . 10.6 p -159.35 177.2 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.433 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.525 ' CD1' ' SD ' ' A' ' 30' ' ' MET . 0.1 OUTLIER 62.65 -11.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.762 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.619 ' H ' ' C ' ' A' ' 45' ' ' THR . 0.0 OUTLIER -68.07 102.67 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.584 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.22 156.82 26.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.578 ' O ' ' OE2' ' A' ' 60' ' ' GLU . 25.5 p-80 -140.55 160.49 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.212 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.88 138.39 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' OD2' ' OE2' ' A' ' 60' ' ' GLU . 1.9 m-20 -121.96 134.56 54.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.943 0.401 . . . . 0.0 111.008 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -109.48 137.59 47.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.622 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -108.53 161.26 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 0.0 110.53 -179.368 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.404 ' H ' ' HG ' ' A' ' 53' ' ' LEU . 22.8 ptm -68.54 25.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.029 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.622 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -171.24 -34.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.416 -179.324 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.581 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 23.2 p -139.3 160.84 38.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 15.5 p-10 -109.7 150.0 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.63 154.87 51.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -140.54 144.52 35.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.236 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -139.72 75.88 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.052 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -88.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.435 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.8 t -129.52 -83.48 0.56 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.532 ' OG ' ' N ' ' A' ' 64' ' ' THR . 1.0 OUTLIER -108.62 -60.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.546 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.532 ' N ' ' OG ' ' A' ' 63' ' ' SER . 5.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.591 ' C8 ' ' CE1' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -32.46 146.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 110.571 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.644 ' N ' ' CD1' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -152.22 63.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.396 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -82.22 93.99 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 m -147.18 82.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.302 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.752 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 11.5 mmtt -131.73 29.78 0.18 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.332 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.752 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 23.8 Cg_endo -63.99 145.99 90.59 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.382 2.054 . . . . 0.0 111.486 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.996 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -96.55 -144.09 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.33 -179.461 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.996 HG13 ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER 161.31 51.84 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.764 HG23 ' C ' ' A' ' 9' ' ' VAL . 2.1 t 80.65 1.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 114.038 -1.437 . . . . 0.0 108.407 -177.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.662 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 48.5 37.36 8.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.478 179.345 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HG3' ' H ' ' A' ' 12' ' ' LYS . 2.9 mtmm -61.0 -5.58 1.46 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 13' ' ' VAL . 12.6 p -157.1 15.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 113.934 -1.484 . . . . 0.0 109.469 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.702 ' O ' ' N ' ' A' ' 16' ' ' ARG . . . -127.86 40.27 0.57 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.021 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 14' ' ' ALA . 81.9 Cg_exo -31.95 80.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.238 1.959 . . . . 0.0 111.185 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.0 OUTLIER -91.89 -48.67 6.65 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.77 -178.367 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -90.62 108.24 19.68 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.234 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.509 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 7.4 p90 -140.89 161.31 38.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.513 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 5.8 ttp85 -140.1 161.0 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.412 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 72.4 t -109.07 119.45 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.763 ' HZ1' ' PB ' ' A' 1318 ' ' ATP . 2.3 tppt? -121.57 129.09 52.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 38.44 -121.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -95.83 3.3 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 21' ' ' LYS . 5.1 m-70 -117.6 156.37 28.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.099 0.476 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 10.2 mp -109.26 136.51 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.682 ' NH1' ' OH ' ' A' ' 28' ' ' TYR . 9.0 ttp85 -109.01 125.51 52.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.9 mt -111.01 157.77 11.77 Favored 'Isoleucine or valine' 1 C--N 1.221 -4.991 0 O-C-N 117.513 -3.242 . . . . 0.0 109.594 179.572 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.682 ' OH ' ' NH1' ' A' ' 26' ' ' ARG . 56.7 m-85 -116.02 127.39 54.87 Favored 'General case' 1 C--N 1.223 -4.919 0 O-C-N 119.828 -1.795 . . . . 0.0 109.661 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 30' ' ' MET . 13.7 t-20 -61.8 -4.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.557 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.607 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 3.1 mtt -153.92 119.3 5.15 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.538 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.622 ' O ' ' N ' ' A' ' 35' ' ' PHE . 8.0 m -67.21 166.14 14.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.646 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.675 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttp -37.91 -48.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.29 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 m -66.09 -63.34 1.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.703 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -59.65 -28.27 67.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.982 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.622 ' N ' ' O ' ' A' ' 31' ' ' CYS . 79.9 t80 -65.06 -46.12 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.675 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.1 m-80 -65.82 -39.24 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.9 -31.83 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.738 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.637 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.4 p -64.27 -28.63 69.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.016 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.3 -31.55 54.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -79.05 -68.97 0.61 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.425 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -67.89 -51.1 51.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.988 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.703 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.53 -47.65 75.87 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.507 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 31.3 t0 53.75 -67.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 0.0 111.031 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.703 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.7 t0 -121.18 50.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 45' ' ' THR . 75.8 m -175.96 11.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.473 ' C ' ' HE3' ' A' ' 30' ' ' MET . 21.6 p90 -62.8 19.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.911 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.644 ' H ' ' C ' ' A' ' 45' ' ' THR . 3.1 m-70 -120.04 159.57 24.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 111.208 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.88 120.04 2.13 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.591 ' CE1' " O3'" ' A' 1318 ' ' ATP . 3.8 p-80 -130.79 157.91 41.56 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.996 0.427 . . . . 0.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 59' ' ' LYS . 1.7 t -113.41 131.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 116.49 -3.881 . . . . 0.0 110.339 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -115.02 136.46 53.1 Favored 'General case' 1 C--N 1.227 -4.718 0 O-C-N 117.086 -3.508 . . . . 0.0 110.754 179.143 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -109.41 146.7 34.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.222 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 53' ' ' LEU . 6.0 mp -112.35 171.2 7.66 Favored 'General case' 1 C--N 1.156 -7.809 0 O-C-N 116.536 -3.852 . . . . 0.0 110.472 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -61.37 -1.08 0.46 Allowed 'General case' 0 C--N 1.263 -3.167 0 O-C-N 120.684 -1.26 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 55' ' ' TYR . 1.1 p90 -174.37 2.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.24 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.27 162.29 33.92 Favored 'General case' 0 C--N 1.252 -3.635 1 O-C-N 113.597 -5.69 . . . . 0.0 110.999 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 155.29 25.4 Favored 'General case' 1 C--N 1.222 -4.952 1 O-C-N 113.856 -5.527 . . . . 0.0 110.29 179.838 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -138.59 154.63 48.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HG2' HG22 ' A' ' 50' ' ' VAL . 42.3 mtpt -140.98 134.45 29.91 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -140.91 78.38 1.64 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.019 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -67.93 -166.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.071 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.554 ' OG ' ' O ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -128.08 121.52 29.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.867 0.365 . . . . 0.0 110.749 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.41 -91.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 179.873 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.763 ' PB ' ' HZ1' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -75.92 119.78 20.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -124.43 25.64 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.418 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -91.23 118.15 30.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.413 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.559 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 5.9 m -43.15 159.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.736 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 1.6 pttt 90.17 32.79 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.133 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 25.4 Cg_endo -63.24 -32.04 73.8 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.57 2.18 . . . . 0.0 111.939 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.038 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -149.35 175.81 11.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.377 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 8' ' ' CYS . 2.3 t 170.71 63.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.792 HG23 ' C ' ' A' ' 9' ' ' VAL . 2.1 t 82.05 -7.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.699 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 62.64 36.27 13.7 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 113.535 -1.666 . . . . 0.0 111.983 177.455 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' CG ' ' HB ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -81.2 -6.75 59.2 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.181 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 m -148.28 15.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.903 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' A' ' 16' ' ' ARG . . . -115.22 60.54 1.37 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.201 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -58.1 62.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.454 2.103 . . . . 0.0 110.34 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -87.35 -50.83 6.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.419 -178.592 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -82.98 106.5 14.86 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -140.35 161.11 38.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 19' ' ' ARG . 3.6 ttp85 -140.37 167.98 20.88 Favored 'General case' 1 C--N 1.194 -6.19 3 O-C-N 107.511 -9.493 . . . . 0.0 110.628 -179.198 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 t -116.72 119.29 61.53 Favored 'Isoleucine or valine' 1 C--N 1.162 -7.584 3 O-C-N 108.799 -8.688 . . . . 0.0 110.41 -179.158 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.691 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 7.0 tptm -120.77 125.69 48.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.256 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 40.93 -120.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 4.46 45.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.842 0.353 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -109.43 157.66 18.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.498 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 11.6 mt -109.3 136.17 49.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.691 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -111.15 122.62 48.36 Favored 'General case' 0 C--N 1.37 1.488 0 O-C-N 120.84 -1.163 . . . . 0.0 111.135 -178.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.545 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.5 mt -109.38 159.64 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.9 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.545 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 45.7 m-85 -118.84 158.94 24.66 Favored 'General case' 0 C--N 1.245 -3.942 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.646 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -84.8 -1.38 56.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.827 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.654 ' SD ' ' O ' ' A' ' 46' ' ' TYR . 3.8 mpp? -147.43 131.59 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.516 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.633 ' O ' ' N ' ' A' ' 35' ' ' PHE . 2.9 m -57.75 162.61 3.02 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.63 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -46.65 -52.0 14.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.384 . . . . 0.0 111.216 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 m -60.85 -67.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.509 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.29 -27.68 56.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.291 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.748 ' CG ' ' N6 ' ' A' 1318 ' ' ATP . 2.9 t80 -62.13 -45.88 91.51 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.63 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -65.66 -41.55 92.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.852 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' SER . 1.5 t-20 -66.74 -34.52 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.919 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.642 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -59.41 -32.28 70.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.974 179.502 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 2.7 mt -65.77 -30.72 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.52 -70.22 0.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.835 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.8 m -68.44 -52.19 35.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.135 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.642 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.23 -41.75 96.65 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.642 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.9 t0 61.99 -59.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.0 t0 -178.2 43.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 46' ' ' TYR . 12.4 t -121.02 -38.65 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.004 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.654 ' O ' ' SD ' ' A' ' 30' ' ' MET . 1.0 OUTLIER -106.31 29.2 7.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.982 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -87.62 94.68 9.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.94 0.4 . . . . 0.0 110.142 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.58 159.36 27.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.633 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.73 156.99 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.422 . . . . 0.0 111.024 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.739 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.8 t -118.7 123.18 71.12 Favored 'Isoleucine or valine' 1 C--N 1.231 -4.558 3 O-C-N 107.749 -9.344 . . . . 0.0 110.528 179.851 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 1.9 m-20 -107.8 137.33 46.0 Favored 'General case' 1 C--N 1.148 -8.169 3 O-C-N 109.126 -8.484 . . . . 0.0 110.429 179.276 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.466 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -110.29 139.01 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.18 179.719 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.627 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -107.82 158.61 17.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -70.64 26.19 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.164 0.507 . . . . 0.0 109.811 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -162.13 -42.11 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.915 -179.488 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.582 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 1.8 t -140.88 160.29 40.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.721 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -113.43 158.19 20.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.512 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.08 155.08 47.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.611 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.739 ' CG ' HG22 ' A' ' 50' ' ' VAL . 4.9 mtmt -133.39 137.85 46.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.5 pm0 -140.56 77.82 1.62 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.013 178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -36.77 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.281 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.557 ' OG ' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -136.44 -167.26 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.324 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.557 ' N ' ' OG ' ' A' ' 62' ' ' SER . 70.1 p -139.85 39.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.756 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.748 ' N6 ' ' CG ' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 172.6 86.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.311 . . . . 0.0 110.608 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.97 130.38 45.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.435 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -105.51 141.27 37.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.498 ' O ' HG22 ' A' ' 5' ' ' VAL . 12.5 p -108.82 -4.4 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.558 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 10.2 mtpt -51.0 -65.35 0.94 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 6' ' ' LYS . 17.1 Cg_endo -59.33 133.0 49.63 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.837 2.358 . . . . 0.0 112.175 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.534 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -65.01 -155.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.694 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 9' ' ' VAL . 2.8 p 173.66 19.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.228 0.537 . . . . 0.0 109.67 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.821 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.6 OUTLIER -126.37 -7.1 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.203 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.553 ' C ' ' H ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.81 -32.28 5.88 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.416 0.626 . . . . 0.0 109.819 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' HG22 ' A' ' 13' ' ' VAL . 5.4 mtpp -65.04 -4.75 5.08 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.737 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -161.56 24.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 113.134 -1.848 . . . . 0.0 107.702 179.792 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.821 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 15.9 -73.95 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 114.002 -1.454 . . . . 0.0 113.611 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.74 ' CD ' ' HB3' ' A' ' 14' ' ' ALA . 92.0 Cg_exo -17.14 74.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.278 0 C-N-CA 123.006 2.47 . . . . 0.0 112.845 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.715 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.9 tpp180 -123.75 -71.99 0.7 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.188 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.569 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.6 p-10 -66.08 130.7 44.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.454 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 6.4 p-90 -140.86 160.05 40.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.635 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -140.68 160.89 39.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.475 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 32.2 t -108.66 112.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.131 0.491 . . . . 0.0 110.268 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -117.31 114.28 23.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 49.61 -130.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -88.25 1.24 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.498 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.659 ' CE1' ' HG ' ' A' ' 53' ' ' LEU . 2.5 m-70 -111.03 161.26 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -108.16 161.05 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.241 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 2.8 ttt180 -134.07 117.87 17.11 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.177 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 2.6 mp -111.68 155.36 13.05 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.385 0 O-C-N 117.602 -3.186 . . . . 0.0 109.537 179.166 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.635 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.8 m-85 -118.42 154.35 32.59 Favored 'General case' 1 C--N 1.213 -5.336 0 O-C-N 120.508 -1.37 . . . . 0.0 110.986 -178.682 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.688 ' C ' ' HB1' ' A' ' 14' ' ' ALA . 36.8 m-80 -89.54 44.02 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.697 ' N ' ' HB1' ' A' ' 14' ' ' ALA . 3.2 mtm 159.71 139.59 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.995 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -60.22 171.36 1.04 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.722 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.513 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.3 tptt -59.21 -36.09 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.24 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.472 ' HB ' ' SG ' ' A' ' 8' ' ' CYS . 9.2 m -65.53 -66.41 0.55 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.72 -179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.695 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.4 p -55.14 -26.85 41.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.525 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' O ' ' OG ' ' A' ' 38' ' ' SER . 23.5 t80 -55.3 -48.67 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 0.0 109.886 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.6 m-80 -65.29 -42.15 93.41 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -31.87 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.742 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 34' ' ' CYS . 28.6 p -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.983 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 4.0 mt -65.03 -29.39 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -70.36 0.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.215 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 m -68.18 -50.94 51.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.967 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.684 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.4 -47.56 77.81 Favored Glycine 0 C--N 1.33 0.227 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.572 ' OD1' ' OD1' ' A' ' 44' ' ' ASP . 9.7 t70 58.14 -57.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 0.0 110.977 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.684 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.6 p-10 179.97 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 42' ' ' GLY . 7.4 t -142.33 0.41 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.03 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.92 25.89 3.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.986 0.422 . . . . 0.0 110.233 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -96.43 134.99 38.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.626 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 169.55 154.44 9.2 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.785 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 15.9 p-80 -140.37 159.1 42.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.136 0.494 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -113.96 128.62 70.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 116.542 -3.849 . . . . 0.0 109.975 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 2.4 m-20 -123.88 142.17 51.38 Favored 'General case' 1 C--N 1.218 -5.14 0 O-C-N 118.488 -2.632 . . . . 0.0 110.631 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -109.71 148.94 30.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.025 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.659 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -112.79 168.85 9.34 Favored 'General case' 1 C--N 1.155 -7.88 0 O-C-N 118.235 -2.791 . . . . 0.0 110.084 -179.647 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -66.59 4.51 0.76 Allowed 'General case' 0 C--N 1.285 -2.201 0 O-C-N 120.998 -1.064 . . . . 0.0 110.966 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.628 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.2 OUTLIER -173.16 -4.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.962 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.628 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -136.01 161.03 36.82 Favored 'General case' 0 C--N 1.249 -3.779 1 O-C-N 114.813 -4.93 . . . . 0.0 110.986 179.758 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 58' ' ' ALA . 2.5 t0 -112.68 144.83 41.53 Favored 'General case' 0 C--N 1.251 -3.679 1 O-C-N 114.299 -5.25 . . . . 0.0 109.993 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.667 ' N ' ' OD1' ' A' ' 57' ' ' ASP . . . -124.95 153.61 42.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.42 142.44 35.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.057 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.539 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 4.4 tt0 -139.95 78.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.459 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -88.58 -34.7 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.275 179.792 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 78.2 164.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.76 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.1 t -159.5 162.53 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.667 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.874 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.591 ' O1A' ' NH2' ' A' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -101.75 88.11 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 3' ' ' PHE . 29.3 p90 -136.97 129.22 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.794 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -141.57 -60.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.476 179.76 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 4' ' ' ARG . 19.0 m -159.08 157.76 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.524 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -156.96 78.8 3.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.547 ' O ' ' O ' ' A' ' 8' ' ' CYS . 59.0 Cg_exo -46.99 -63.75 0.3 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.814 2.343 . . . . 0.0 112.011 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.806 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 2.2 t -40.64 171.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.374 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 9' ' ' VAL . 1.8 p 162.94 61.08 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.706 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.789 HG23 ' C ' ' A' ' 9' ' ' VAL . 2.2 t 84.74 -7.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.693 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 59.15 19.37 7.34 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 113.083 -1.871 . . . . 0.0 111.872 177.251 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -81.74 -0.92 45.2 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 13' ' ' VAL . 7.4 p -148.56 13.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 113.998 -1.455 . . . . 0.0 108.897 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.715 ' O ' ' N ' ' A' ' 16' ' ' ARG . . . -125.25 112.12 26.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.025 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 77.4 Cg_exo -43.04 78.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 121.892 1.728 . . . . 0.0 111.095 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.715 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -62.62 -149.9 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.828 -179.387 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.599 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -87.41 139.9 30.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 p90 -140.2 157.69 45.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.951 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -141.45 161.93 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.296 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 8.1 t -108.01 116.57 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.047 0.451 . . . . 0.0 110.716 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.846 ' HZ2' HH21 ' A' ' 26' ' ' ARG . 5.4 ttmt -119.33 109.99 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.541 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 2.3 m-20 54.04 -131.69 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -88.03 1.36 54.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.895 ' CE1' HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -109.48 159.57 16.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' C ' ' A' ' 24' ' ' HIS . 3.6 mm? -109.08 138.24 45.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.846 HH21 ' HZ2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -109.2 116.92 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.321 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.83 153.08 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.958 178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' CE1' ' C8 ' ' A' 1318 ' ' ATP . 30.8 m-85 -110.15 150.53 28.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.676 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -69.61 -17.54 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.624 -179.464 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.596 ' HA ' ' SG ' ' A' ' 11' ' ' CYS . 12.2 mtm -145.79 156.45 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.528 ' N ' ' HB3' ' A' ' 16' ' ' ARG . 3.6 m -65.28 172.78 2.9 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.616 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -60.13 -44.04 95.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 m -65.89 -68.72 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.093 0.473 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -47.96 -28.1 2.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.467 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' HB2' ' N6 ' ' A' 1318 ' ' ATP . 20.2 t80 -63.44 -45.94 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.0 m-80 -65.51 -39.18 91.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -31.74 72.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.467 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.629 ' O ' ' CA ' ' A' ' 42' ' ' GLY . 1.0 OUTLIER -60.31 -29.91 69.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -30.66 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -78.74 -70.74 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.205 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 m -68.8 -52.03 34.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.078 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.683 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.24 -45.52 90.85 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.9 t0 60.29 -55.89 0.08 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.96 0.409 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.683 ' N ' ' O ' ' A' ' 42' ' ' GLY . 17.9 p-10 -155.26 57.16 0.65 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.602 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.717 HG22 ' H ' ' A' ' 46' ' ' TYR . 4.4 m -164.46 175.44 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.717 ' H ' HG22 ' A' ' 45' ' ' THR . 50.8 m-85 62.39 -16.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.956 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.648 ' CG ' ' O ' ' A' ' 47' ' ' HIS . 6.6 p-80 -61.52 100.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.891 0.377 . . . . 0.0 110.461 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.92 160.47 33.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.659 ' CE1' " H3'" ' A' 1318 ' ' ATP . 14.6 p-80 -139.77 160.17 40.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.81 136.95 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.214 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.89 131.81 54.23 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.471 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.36 140.44 43.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.988 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.895 HD21 ' CE1' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -111.44 155.71 22.76 Favored 'General case' 1 C--N 1.19 -6.356 0 O-C-N 118.966 -2.333 . . . . 0.0 110.479 -179.191 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.414 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -50.65 -10.12 0.06 Allowed 'General case' 0 C--N 1.26 -3.31 0 O-C-N 120.826 -1.171 . . . . 0.0 110.735 -178.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.614 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.3 OUTLIER -166.21 8.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.237 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.614 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -135.63 158.02 45.42 Favored 'General case' 0 C--N 1.269 -2.923 1 O-C-N 115.925 -4.235 . . . . 0.0 110.882 179.305 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -121.17 139.73 52.96 Favored 'General case' 1 C--N 1.241 -4.116 0 O-C-N 116.658 -3.776 . . . . 0.0 110.489 179.772 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.71 155.33 49.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -140.47 141.2 35.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.676 ' OE2' ' N ' ' A' ' 62' ' ' SER . 3.6 tp10 -140.13 79.16 1.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.081 0.467 . . . . 0.0 109.788 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.34 -21.3 27.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.659 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.676 ' N ' ' OE2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER 69.6 -156.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.289 -179.769 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 58.81 -88.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.7 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.668 ' PB ' ' NH2' ' A' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -117.94 130.08 56.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' ARG . 7.5 t80 -160.98 95.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -49.92 -177.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' A' ' 6' ' ' LYS . 4.4 m -117.9 -5.46 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.313 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 5' ' ' VAL . 9.8 mmtp 31.64 82.72 0.21 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -48.43 121.38 6.23 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.748 2.299 . . . . 0.0 111.895 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.779 ' O ' HG12 ' A' ' 9' ' ' VAL . 37.5 t -89.55 -116.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.882 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.4 OUTLIER 94.79 39.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 -178.643 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.783 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -156.96 -11.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.369 -179.125 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.715 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -45.09 -22.68 0.11 Allowed 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.696 -179.474 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 10' ' ' VAL . 17.0 mtmt -47.46 -12.88 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 10' ' ' VAL . 28.3 m -142.04 10.91 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.106 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.715 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . . . -139.2 151.7 68.07 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.929 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.49 ' HG2' ' H ' ' A' ' 16' ' ' ARG . 65.8 Cg_endo -93.85 -57.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.486 1.045 0 C-N-CA 122.884 2.389 . . . . 0.0 110.854 177.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.734 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER 70.66 -69.37 0.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.414 179.259 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 18.4 p-10 -85.95 125.35 33.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.709 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.561 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -141.42 161.84 36.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.102 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 7.9 ttp85 -140.7 160.43 40.05 Favored 'General case' 1 C--O 1.107 -6.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.96 -178.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.471 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 94.9 t -109.3 110.75 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.798 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.1 OUTLIER -109.78 117.31 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.662 -179.773 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 1.4 m-20 46.41 -125.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -90.39 -0.25 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.355 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.771 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -111.17 157.14 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.4 mp -109.76 138.98 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.798 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -109.36 124.16 50.52 Favored 'General case' 1 C--O 1.093 -7.133 0 CA-C-O 124.337 2.018 . . . . 0.0 110.86 -179.445 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mt -110.8 151.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 O-C-N 120.133 -1.604 . . . . 0.0 109.843 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.529 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.1 m-85 -117.84 160.75 20.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.939 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.64 ' C ' ' SD ' ' A' ' 30' ' ' MET . 7.3 m-80 -91.74 -18.12 24.39 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.363 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.64 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 2.1 mpp? -134.9 136.43 42.35 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.179 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.2 m -61.03 176.42 0.42 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 8.9 tttp -56.91 -35.27 68.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -70.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.679 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 1.2 p -61.19 -27.58 68.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.595 ' O ' ' OG ' ' A' ' 38' ' ' SER . 5.5 t80 -54.08 -49.31 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.37 0.605 . . . . 0.0 109.56 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 32' ' ' LYS . 4.9 m120 -66.76 -38.94 87.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.208 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.8 t-20 -65.72 -36.13 82.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.86 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.66 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -57.16 -29.2 63.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 7.0 mm -65.64 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -79.28 -64.69 1.13 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.36 178.222 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -66.87 -52.34 44.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -64.92 -48.83 67.03 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 44' ' ' ASP . 38.0 t70 56.2 -62.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.533 -0.333 . . . . 0.0 111.279 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.4 t70 -18.64 -73.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.11 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.485 ' HB ' ' CE2' ' A' ' 46' ' ' TYR . 6.5 p -140.53 -82.27 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.077 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.618 ' O ' ' HB2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -150.21 -30.75 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.774 179.333 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.618 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 8.9 m-70 126.63 -137.76 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.43 1.081 . . . . 0.0 110.539 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 47' ' ' HIS . . . -147.74 161.1 28.49 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.71 ' N ' ' ND1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -135.36 159.54 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.97 0.414 . . . . 0.0 110.739 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -112.08 140.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.736 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -122.56 134.25 54.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.653 179.418 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -109.99 138.95 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.133 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -109.6 77.32 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.023 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.3 ptm 38.18 7.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.358 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER 178.03 -21.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.329 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.704 ' OG1' ' CZ ' ' A' ' 55' ' ' TYR . 23.1 m -111.8 160.09 17.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 56' ' ' THR . 4.9 t70 -131.44 137.7 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.524 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.06 160.23 40.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.336 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -116.75 140.61 49.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.657 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 6.1 pt-20 -140.73 79.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.829 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -110.17 -158.86 0.66 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.82 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.7 m -129.37 -72.86 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.576 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.0 p -121.36 -31.97 3.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.646 -179.895 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1318 ' ' ATP . . . . . 0.671 ' H8 ' H5'2 ' A' 1318 ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.895 0.379 . . . . 0.0 110.601 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.676 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.6 p-10 -33.98 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -141.21 157.74 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.204 0.526 . . . . 0.0 111.04 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.2 tpp85 -141.08 165.3 27.93 Favored 'General case' 2 C--O 1.094 -7.096 0 O-C-N 119.645 -1.91 . . . . 0.0 109.826 179.714 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.448 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.2 t -111.95 125.43 69.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 118.095 -2.878 . . . . 0.0 110.645 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.534 ' NZ ' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -118.79 98.2 6.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -179.367 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 27.45 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.283 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 67.36 -13.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.927 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.602 ' C ' HD22 ' A' ' 25' ' ' LEU . 5.3 m-70 -109.46 155.89 20.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.828 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.602 HD22 ' C ' ' A' ' 24' ' ' HIS . 4.2 mm? -109.94 132.46 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.458 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.534 ' NH2' ' NZ ' ' A' ' 21' ' ' LYS . 1.2 ttp180 -113.49 125.88 54.7 Favored 'General case' 1 C--O 1.098 -6.905 0 CA-C-O 124.418 2.056 . . . . 0.0 111.087 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.1 mp -109.41 164.1 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 120.135 -1.603 . . . . 0.0 109.36 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 49.7 m-85 -120.69 160.36 23.47 Favored 'General case' 1 C--N 1.209 -5.534 0 O-C-N 120.77 -1.206 . . . . 0.0 110.286 -179.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.485 ' ND2' ' SD ' ' A' ' 30' ' ' MET . 31.8 t30 -85.87 -14.4 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.751 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.57 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 3.2 mpp? -140.25 138.04 34.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.611 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.747 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.7 m -56.96 171.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -57.12 -42.43 80.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.0 m -65.15 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.747 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.5 p -56.5 -28.97 61.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.179 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 11.0 t80 -59.85 -50.46 73.7 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.3 m-80 -65.24 -40.57 94.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -66.68 -34.14 77.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.49 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.2 p -57.49 -30.73 65.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 39' ' ' ILE . 12.8 mm -66.26 -33.58 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -78.55 -69.82 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.554 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -68.4 -52.61 31.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.024 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.602 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.66 -48.98 62.44 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.665 ' N ' ' O ' ' A' ' 38' ' ' SER . 44.4 t0 . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 120.907 0.384 . . . . 0.0 110.266 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.455 ' CG ' ' O ' ' A' ' 47' ' ' HIS . 20.0 p-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.718 0.294 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.89 152.24 21.34 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.685 ' CD2' ' OE2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -141.16 160.44 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.689 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -123.57 131.5 72.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 116.657 -3.777 . . . . 0.0 110.639 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -111.6 132.16 54.75 Favored 'General case' 1 C--N 1.212 -5.377 0 O-C-N 119.527 -1.983 . . . . 0.0 110.403 178.938 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.556 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -109.41 134.32 51.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.665 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.7 mp -108.45 159.86 16.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.434 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 6.5 ptt? -71.15 34.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.588 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -169.89 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.649 -179.148 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.51 162.05 36.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.094 0.474 . . . . 0.0 111.504 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD2' ' CZ2' ' A' ' 52' ' ' TRP . 9.9 t0 -109.27 149.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.538 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.9 159.84 41.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.641 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 14.8 mtpp -129.44 141.2 51.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.01 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.685 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 4.3 pt-20 . . . . . 0 C--N 1.326 -0.451 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.296 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.933 0.397 . . . . 0.0 110.343 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.554 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 5.8 m-20 -32.17 131.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.538 ' CD1' ' N ' ' A' ' 18' ' ' TRP . 4.1 p-90 -140.24 157.54 45.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.0 ttp85 -140.85 160.54 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.001 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.4 p -108.98 134.31 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.572 ' CG ' HD22 ' A' ' 22' ' ' ASN . 0.5 OUTLIER -138.89 125.38 20.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.906 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.579 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 3.6 p30 39.15 -114.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.912 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.579 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 5.7 mtp180 -104.12 10.48 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.781 ' ND1' HD13 ' A' ' 53' ' ' LEU . 1.2 m-70 -120.3 156.87 30.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.201 0.524 . . . . 0.0 111.12 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 mm? -109.38 134.38 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.584 ' NH2' ' NE2' ' A' ' 49' ' ' HIS . 22.8 ttt180 -109.3 117.57 34.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.366 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -109.31 154.21 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.512 179.244 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 46.3 m-85 -111.61 160.32 17.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.454 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.465 ' C ' ' CG ' ' A' ' 30' ' ' MET . 43.4 t30 -75.31 -13.66 60.44 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.806 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.465 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 5.5 mtm -154.29 160.22 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.643 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 1.8 m -66.29 177.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.376 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' CB ' ' OD2' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -65.44 -33.71 76.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.021 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 m -66.71 -70.78 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.173 0.511 . . . . 0.0 110.087 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.643 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -44.81 -28.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.309 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD2' ' ND2' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -61.51 -48.04 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.533 ' ND2' ' CD2' ' A' ' 35' ' ' PHE . 2.2 m-80 -65.98 -41.98 90.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.304 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.56 -29.58 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.029 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 p -63.97 -28.67 69.97 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.44 -30.01 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -69.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.473 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.6 m -70.1 -50.93 35.86 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.101 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.624 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.7 -44.63 92.09 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.171 -178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.8 t0 . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.863 0.363 . . . . 0.0 110.795 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.976 0.417 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.24 126.48 0.85 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.692 ' ND1' ' OE1' ' A' ' 60' ' ' GLU . 43.8 p-80 -138.99 150.15 45.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.257 0.551 . . . . 0.0 110.261 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -109.92 146.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.706 -179.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 m-20 -133.95 137.82 45.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.891 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.614 ' C ' HD22 ' A' ' 53' ' ' LEU . 6.1 m95 -114.16 141.34 47.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.153 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.781 HD13 ' ND1' ' A' ' 24' ' ' HIS . 2.6 mm? -109.54 77.32 1.05 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.664 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ptt? 28.21 25.74 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.921 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.743 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 174.48 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.303 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.679 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 1.2 m -109.33 155.35 21.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.925 0.393 . . . . 0.0 110.608 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.475 ' N ' ' CG2' ' A' ' 56' ' ' THR . 10.4 p-10 -114.07 139.73 49.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -122.35 156.01 34.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.28 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 66.6 mttt -140.68 135.67 31.87 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.645 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.692 ' OE1' ' ND1' ' A' ' 49' ' ' HIS . 1.5 tm-20 . . . . . 0 C--N 1.324 -0.518 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.363 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.762 0.315 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.511 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 44.6 t0 -37.36 143.21 0.1 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.985 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.52 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 4.6 p90 -140.47 159.79 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.235 0.541 . . . . 0.0 110.941 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.67 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 0.3 OUTLIER -142.44 159.42 42.27 Favored 'General case' 1 C--O 1.07 -8.345 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.051 -178.858 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.9 t -107.24 132.64 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 110.398 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.708 ' NZ ' ' NH1' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -130.66 118.56 21.13 Favored 'General case' 1 C--O 1.137 -4.843 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.298 -179.261 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.551 ' C ' ' H ' ' A' ' 24' ' ' HIS . 2.5 m-20 22.55 88.14 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 126.611 2.444 . . . . 0.0 111.943 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' A' ' 23' ' ' ARG . 0.1 OUTLIER 57.97 -4.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.647 178.763 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.551 ' H ' ' C ' ' A' ' 22' ' ' ASN . 3.8 m170 -109.74 154.14 23.34 Favored 'General case' 1 C--O 1.078 -7.927 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.745 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mt -110.06 122.13 46.88 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 124.082 0.864 . . . . 0.0 109.433 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.708 ' NH1' ' NZ ' ' A' ' 21' ' ' LYS . 13.7 ttp-105 -102.06 123.67 46.34 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 125.975 2.047 . . . . 0.0 110.46 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 28' ' ' TYR . 1.0 OUTLIER -108.07 163.19 5.83 Favored 'Isoleucine or valine' 1 C--N 1.445 4.749 0 O-C-N 119.815 -1.803 . . . . 0.0 109.448 179.704 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' N ' HG23 ' A' ' 27' ' ' ILE . 55.1 m-85 -124.17 159.51 29.9 Favored 'General case' 1 C--N 1.441 4.582 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.821 -179.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -81.91 -8.1 59.65 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 128.835 3.834 . . . . 0.0 110.973 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtm -147.59 148.47 31.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 111.356 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.9 m -65.86 169.34 6.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.4 tttp -54.53 -41.53 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.401 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -55.1 -27.75 47.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 8.7 t80 -57.67 -47.13 83.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.19 -40.65 90.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.8 t30 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.124 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.649 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -56.65 -28.89 61.57 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.64 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -65.26 -29.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.39 -70.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.351 178.339 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.9 m -68.33 -52.12 36.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.006 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.621 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.4 -49.02 63.11 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 38' ' ' SER . 36.8 t0 . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.894 0.378 . . . . 0.0 111.015 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 6.1 p-80 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.899 0.381 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.43 144.24 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.635 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 2.7 p-80 -140.45 154.34 46.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.434 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 t -111.48 133.87 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.405 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.619 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -116.57 132.71 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.918 0.39 . . . . 0.0 110.574 179.532 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 140.52 45.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.741 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 7.5 mp -110.75 169.98 8.4 Favored 'General case' 1 C--N 1.156 -7.833 0 O-C-N 116.795 -3.69 . . . . 0.0 110.406 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 ptm -67.31 2.74 1.5 Allowed 'General case' 0 C--N 1.27 -2.884 0 O-C-N 119.665 -1.897 . . . . 0.0 110.702 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 55' ' ' TYR . 4.8 p90 -174.16 7.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.724 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.56 164.95 28.78 Favored 'General case' 1 C--N 1.22 -5.044 1 O-C-N 114.635 -5.041 . . . . 0.0 110.626 -179.855 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.65 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -134.96 132.15 38.05 Favored 'General case' 1 C--N 1.242 -4.085 1 O-C-N 114.592 -5.067 . . . . 0.0 110.573 -179.714 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -119.26 160.01 23.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.541 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -140.46 139.96 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.996 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.635 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' ASP . 10.6 mtp180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.612 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 31.1 m-20 -25.44 134.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.654 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -140.29 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.557 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 26' ' ' ARG . 4.3 ttp85 -141.02 161.28 38.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.669 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.75 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.104 179.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.0 ttmt -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' LYS . 5.1 m120 35.08 -108.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.07 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -118.87 6.71 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.042 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -109.44 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 9.9 mp -109.17 133.28 53.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -107.06 121.38 44.37 Favored 'General case' 0 C--N 1.409 3.191 0 O-C-N 127.694 3.121 . . . . 0.0 111.152 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.7 mt -109.13 160.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.395 2.566 0 O-C-N 119.101 -2.249 . . . . 0.0 109.178 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 53.8 m-85 -120.75 157.85 28.78 Favored 'General case' 1 C--N 1.206 -5.647 0 O-C-N 119.486 -2.009 . . . . 0.0 110.707 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.649 ' O ' ' SD ' ' A' ' 30' ' ' MET . 26.2 m-20 -77.66 -19.14 55.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.021 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.649 ' SD ' ' O ' ' A' ' 29' ' ' ASN . 3.3 mpp? -139.05 147.2 41.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.888 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 4.0 m -65.29 169.44 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.94 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.634 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 8.2 tttt -52.83 -46.25 67.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.6 m -65.15 -69.74 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -51.04 -28.19 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.461 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.403 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 28.5 t80 -59.22 -49.22 78.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.634 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.4 m-80 -66.02 -41.45 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -66.81 -35.38 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.67 179.168 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.66 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -52.95 -31.19 39.11 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 mt -66.18 -30.34 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.4 mttt -78.95 -70.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.46 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -67.9 -52.61 34.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.717 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.587 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.82 -50.7 51.74 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 38' ' ' SER . 62.2 t0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.096 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.73 137.07 3.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.701 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -140.25 159.66 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 110.863 -179.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.667 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.0 t -109.75 134.96 50.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 O-C-N 116.357 -3.964 . . . . 0.0 110.672 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -117.05 131.97 56.8 Favored 'General case' 1 C--N 1.198 -6.021 0 O-C-N 118.542 -2.599 . . . . 0.0 109.966 178.872 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 146.15 35.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD11 ' CE1' ' A' ' 24' ' ' HIS . 1.8 mm? -110.33 169.95 8.4 Favored 'General case' 1 C--N 1.163 -7.5 0 O-C-N 117.643 -3.161 . . . . 0.0 109.534 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 13.4 ptt? -79.2 27.14 0.25 Allowed 'General case' 0 C--N 1.274 -2.716 0 O-C-N 120.153 -1.592 . . . . 0.0 109.423 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 54' ' ' MET . 0.3 OUTLIER -178.14 -20.37 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.245 -179.209 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.09 163.01 31.82 Favored 'General case' 0 C--N 1.247 -3.849 1 O-C-N 114.862 -4.899 . . . . 0.0 112.078 -179.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -112.73 143.71 43.48 Favored 'General case' 0 C--N 1.25 -3.725 1 O-C-N 114.759 -4.963 . . . . 0.0 109.505 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -138.66 159.69 41.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.616 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.667 ' CG ' HG22 ' A' ' 50' ' ' VAL . 32.1 mtpt -136.27 148.61 48.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.259 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 51' ' ' ASP . 1.3 pt-20 . . . . . 0 C--N 1.246 -3.906 0 O-C-N 121.353 -0.842 . . . . 0.0 110.738 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.648 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 4.4 mtp180 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.827 0.346 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.604 ' OD1' ' N ' ' A' ' 18' ' ' TRP . 52.1 t0 -32.74 143.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.073 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.604 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 17.8 p90 -140.09 158.62 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.067 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.668 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 4.1 ttp85 -140.87 162.95 34.25 Favored 'General case' 1 C--O 1.09 -7.339 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.178 -179.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.523 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 52.8 t -108.5 119.91 58.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 O-C-N 123.856 0.722 . . . . 0.0 110.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -109.01 93.78 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 6.1 t30 9.5 94.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.644 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 2.2 tpt180 95.57 -40.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.443 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.541 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 3.7 m-70 -109.48 159.2 17.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 6.9 mp -109.37 134.95 51.19 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.72 ' NH1' ' CD2' ' A' ' 49' ' ' HIS . 10.2 ttm-85 -110.71 123.2 49.57 Favored 'General case' 1 C--O 1.081 -7.806 0 CA-C-O 125.156 2.408 . . . . 0.0 111.519 -178.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.3 mp -110.03 154.5 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 119.603 -1.936 . . . . 0.0 108.79 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.668 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 33.3 m-85 -109.83 160.77 16.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.802 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.34 -6.52 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -147.9 142.11 26.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.729 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.9 m -58.86 172.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.056 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.674 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttt -60.22 -40.64 90.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.732 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -63.99 -68.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.043 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.729 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.2 p -54.55 -28.27 44.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' O ' ' OG ' ' A' ' 38' ' ' SER . 12.6 t80 -60.43 -47.23 86.99 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.674 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -65.43 -42.2 92.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.944 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -33.82 76.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.532 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.647 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.8 p -59.67 -29.06 67.8 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.001 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 mm -65.1 -29.88 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -70.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.123 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -68.99 -51.98 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.063 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.57 -45.96 87.08 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 38' ' ' SER . 59.2 t0 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 m170 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.786 0.326 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.12 154.44 25.53 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.72 ' CD2' ' NH1' ' A' ' 26' ' ' ARG . 14.9 p-80 -140.27 155.61 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.19 124.28 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.176 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 6.4 m-20 -112.16 133.9 54.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.394 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -109.49 137.91 46.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.788 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.578 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -107.89 160.48 15.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.076 -179.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' MET . 2.3 ptt? -71.03 32.31 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.776 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -177.34 -31.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.425 -179.293 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.573 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 6.9 m -140.01 160.47 39.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.727 0.299 . . . . 0.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -110.33 145.66 37.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.86 156.07 35.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -140.55 138.98 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 4.0 tt0 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.827 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 17' ' ' ASP . 12.0 mtt180 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.559 ' C ' ' O ' ' A' ' 16' ' ' ARG . 18.5 t70 -25.9 136.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.985 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 15.2 p90 -140.26 157.91 44.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 111.217 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.5 ttp85 -141.13 160.74 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.91 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.488 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 7.3 p -108.56 127.99 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.003 0.43 . . . . 0.0 110.462 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -133.97 101.7 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 61.76 -132.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -0.93 55.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.653 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 2.7 m170 -112.73 156.56 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.437 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 2.8 mt -112.51 141.42 46.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.543 HH21 ' CE1' ' A' ' 49' ' ' HIS . 4.3 ttt180 -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.441 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -109.75 156.38 10.6 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.655 0 O-C-N 116.817 -3.677 . . . . 0.0 109.163 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.436 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 35.2 m-85 -114.63 160.62 19.1 Favored 'General case' 1 C--N 1.214 -5.287 0 O-C-N 118.278 -2.764 . . . . 0.0 110.783 -179.211 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.605 HD22 ' C ' ' A' ' 48' ' ' GLY . 29.6 m-80 -76.54 -12.4 60.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.045 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.444 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 4.1 mtm -151.97 154.12 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.126 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.752 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 7.6 m -66.0 176.0 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.192 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.619 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 4.2 tttm -64.6 -40.27 95.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 110.149 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -67.84 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.752 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -54.06 -28.29 37.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.298 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -60.53 -51.41 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.593 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -66.25 -40.42 90.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -65.73 -36.67 84.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.862 179.228 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 34' ' ' CYS . 59.7 p -55.68 -29.96 60.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 39' ' ' ILE . 13.9 mm -65.79 -30.97 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.84 -69.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.179 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 m -68.03 -52.35 36.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.05 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.4 -48.18 71.56 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.2 t70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.869 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.2 m170 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.768 0.318 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.605 ' C ' HD22 ' A' ' 29' ' ' ASN . . . 135.73 137.65 3.73 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.671 ' CE1' ' CD ' ' A' ' 60' ' ' GLU . 41.8 p-80 -141.46 159.5 42.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.278 0.561 . . . . 0.0 111.205 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.498 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.4 t -116.98 148.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 O-C-N 116.369 -3.957 . . . . 0.0 110.396 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 1.7 m-20 -127.31 142.3 51.49 Favored 'General case' 1 C--N 1.212 -5.382 0 O-C-N 117.993 -2.942 . . . . 0.0 110.693 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -111.87 138.77 48.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.767 HD23 ' H ' ' A' ' 54' ' ' MET . 0.4 OUTLIER -112.08 155.76 23.34 Favored 'General case' 1 C--N 1.162 -7.562 0 O-C-N 118.744 -2.473 . . . . 0.0 110.159 -179.665 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.767 ' H ' HD23 ' A' ' 53' ' ' LEU . 5.7 ptt? -53.59 -6.76 0.08 Allowed 'General case' 0 C--N 1.255 -3.519 0 O-C-N 120.387 -1.446 . . . . 0.0 111.043 -178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -166.76 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.687 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -137.57 163.13 31.94 Favored 'General case' 0 C--N 1.254 -3.565 1 O-C-N 115.213 -4.679 . . . . 0.0 111.264 179.542 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.83 130.53 47.06 Favored 'General case' 1 C--N 1.244 -4.01 1 O-C-N 115.486 -4.509 . . . . 0.0 110.156 179.262 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.06 153.69 37.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.498 ' CG ' HG22 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -140.03 141.75 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.482 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.671 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 1.2 pp20? . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.403 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.711 0.291 . . . . 0.0 110.451 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 7.6 t70 -34.82 143.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.64 155.44 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.652 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -141.42 160.51 39.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.476 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 79.9 t -108.87 118.67 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.08 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -125.51 100.66 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.762 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 59.68 -134.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.19 -1.48 40.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.786 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -115.7 160.25 20.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.114 0.483 . . . . 0.0 111.313 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 25' ' ' LEU . 8.3 mp -109.01 161.14 15.44 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 5.4 ttt180 -133.21 119.44 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.123 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.25 146.21 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.605 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.652 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 m-30 -109.3 147.82 32.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.548 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -70.82 -21.03 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.466 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.0 mtm -131.5 147.19 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.779 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 2.3 m -65.01 169.06 5.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -53.24 -41.12 65.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -64.1 -65.94 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.779 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.1 p -60.12 -27.26 66.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' CYS . 4.8 t80 -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.406 ' H ' HD22 ' A' ' 36' ' ' ASN . 2.3 m-80 -66.15 -42.34 89.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.1 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -31.49 72.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.832 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 34' ' ' CYS . 27.3 p -60.19 -29.81 68.94 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.404 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.3 mt -65.99 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -78.55 -70.48 0.49 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.295 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.6 m -68.27 -52.28 35.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.612 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.33 -46.15 87.81 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 38' ' ' SER . 4.2 t0 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.066 0.46 . . . . 0.0 110.391 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.724 0.297 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 125.79 142.63 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.785 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 3.4 p-80 -133.65 159.25 41.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.82 148.48 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.468 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -133.65 139.09 46.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.477 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 6.7 m95 -112.88 143.32 44.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.964 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 55' ' ' TYR . 4.1 mt -109.7 77.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.5 ptt? 37.69 9.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.104 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.741 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER 178.16 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.346 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.712 ' OG1' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -109.33 160.07 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.941 0.401 . . . . 0.0 110.903 -179.549 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.559 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -111.2 136.74 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -126.6 160.46 30.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -136.49 139.48 42.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 1.7 tt0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.805 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' O ' ' C ' ' A' ' 17' ' ' ASP . 6.6 mtt180 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 16' ' ' ARG . 3.7 m-20 -29.62 135.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.278 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -140.23 160.75 39.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.286 0.565 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.662 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 1.6 ttp85 -139.58 159.75 41.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.153 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.45 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.9 113.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.971 0.415 . . . . 0.0 110.103 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.657 ' NZ ' ' NH2' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -109.18 118.99 38.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.016 -179.22 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 42.63 -90.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.241 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 8.0 mtt-85 -123.78 1.04 8.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.651 0.262 . . . . 0.0 111.424 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.469 ' CG ' ' HG ' ' A' ' 53' ' ' LEU . 2.1 m170 -109.72 159.07 17.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 6.5 mp -109.12 129.79 55.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.657 ' NH2' ' NZ ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -109.15 128.74 55.27 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.326 -178.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -109.33 160.36 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.138 179.019 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.662 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 48.3 m-85 -123.03 121.0 35.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.226 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.68 HD22 ' C ' ' A' ' 48' ' ' GLY . 5.5 m-80 -48.96 -8.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.463 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.629 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 5.1 mpp? -155.54 138.83 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.691 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 10.3 m -63.79 172.28 2.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.206 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -54.21 -42.97 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.649 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -65.75 -70.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.747 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.4 p -55.32 -27.0 44.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' O ' ' OG ' ' A' ' 38' ' ' SER . 24.4 t80 -56.98 -49.77 74.71 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.62 -42.58 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.156 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -67.07 -35.2 79.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.555 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 34' ' ' CYS . 90.7 p -56.93 -29.23 62.94 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 39' ' ' ILE . 6.6 mt -65.43 -32.4 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -79.28 -68.43 0.66 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.227 -1.351 . . . . 0.0 109.465 178.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -67.63 -51.8 45.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.017 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.617 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -63.67 -49.63 67.51 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' SER . 33.4 t70 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.401 -0.399 . . . . 0.0 111.437 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.693 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.943 0.401 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.68 ' C ' HD22 ' A' ' 29' ' ' ASN . . . 149.61 125.24 1.35 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.612 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -141.37 160.49 40.01 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.183 0.516 . . . . 0.0 111.242 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.81 135.42 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 4.8 m-20 -124.01 127.86 48.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.018 0.437 . . . . 0.0 110.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -109.83 130.08 55.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.553 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 53' ' ' LEU . 5.5 mp -107.97 160.65 15.61 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.224 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.8 ptm -71.92 22.94 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.595 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -166.89 -25.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.78 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.54 ' H ' ' HB2' ' A' ' 53' ' ' LEU . 5.6 p -137.09 160.83 37.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.368 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 23.9 p30 -115.87 131.95 56.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.174 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -116.23 142.34 46.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -140.57 136.23 32.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 4.2 tt0 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 121.263 0.554 . . . . 0.0 109.635 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.77 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 8.0 mtp180 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 16' ' ' ARG . 6.9 t70 -32.17 143.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 p90 -140.68 159.71 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.187 0.518 . . . . 0.0 111.501 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -142.83 158.91 43.16 Favored 'General case' 1 C--N 1.429 4.064 0 O-C-N 116.791 -3.693 . . . . 0.0 110.164 179.907 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.522 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -105.95 124.25 61.02 Favored 'Isoleucine or valine' 1 C--N 1.139 -8.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.124 -179.963 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.677 ' O ' ' N ' ' A' ' 24' ' ' HIS . 18.6 ttmt -136.2 139.97 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.543 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.668 ' C ' ' H ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER 22.74 83.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.175 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 46.4 2.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.412 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.677 ' N ' ' O ' ' A' ' 21' ' ' LYS . 2.9 m-70 -113.25 157.83 21.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.947 0.404 . . . . 0.0 110.805 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 4.0 mm? -109.09 117.92 35.43 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HG3' ' CG ' ' A' ' 51' ' ' ASP . 2.5 ttp85 -95.25 122.52 38.03 Favored 'General case' 1 C--N 1.167 -7.329 0 O-C-N 117.673 -3.142 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -108.27 165.06 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 3 O-C-N 110.476 -7.64 . . . . 0.0 109.444 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.77 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 54.9 m-85 -119.89 159.88 23.78 Favored 'General case' 1 C--N 1.43 4.082 0 O-C-N 120.524 -1.36 . . . . 0.0 110.772 -178.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.419 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 11.4 m-20 -87.43 9.77 19.67 Favored 'General case' 1 C--N 1.221 -5.013 1 O-C-N 130.18 4.675 . . . . 0.0 110.959 -179.461 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtm -162.83 142.25 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.696 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.774 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.3 m -64.22 -178.56 0.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.77 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.1 OUTLIER -65.19 -41.88 94.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.814 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 34' ' ' CYS . 1.3 m -65.27 -61.82 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.53 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.4 p -60.2 -28.73 68.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 2.3 t80 -59.87 -45.17 93.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.37 -40.38 89.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.188 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.0 t30 -65.97 -36.49 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.501 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLY . 38.3 p -55.08 -30.31 59.4 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 6.4 mt -66.3 -28.92 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.2 mmmp? -78.44 -68.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.223 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.4 m -67.91 -53.02 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.88 -50.87 50.41 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' SER . 50.4 t0 . . . . . 0 C--N 1.324 -0.533 0 CA-C-O 120.881 0.372 . . . . 0.0 111.276 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.407 ' HB2' ' H ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.407 0.146 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' H ' ' HB2' ' A' ' 47' ' ' HIS . . . -136.56 174.13 21.7 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.258 -178.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.47 160.91 38.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.506 . . . . 0.0 110.058 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.2 t -114.06 130.81 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.585 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -113.37 127.79 56.25 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.472 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.544 ' CE2' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -109.69 136.24 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.864 179.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.581 ' C ' ' H ' ' A' ' 55' ' ' TYR . 4.3 mp -108.51 160.24 16.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.579 ' SD ' ' O ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -72.49 33.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.581 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -172.94 -32.83 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.33 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -140.68 162.39 35.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' OD2' ' CE2' ' A' ' 52' ' ' TRP . 24.1 t0 -109.07 145.3 35.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.122 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -126.71 157.25 39.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.799 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -140.28 138.82 35.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.594 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.992 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.913 0.387 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.642 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 11.8 m-20 -32.03 133.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 p90 -140.95 158.64 43.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.659 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -140.94 161.96 36.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.107 -179.443 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.531 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 2.4 m -108.06 114.83 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.431 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.651 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 2.1 tppt? -118.29 107.57 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.632 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.484 ' N ' HD22 ' A' ' 22' ' ' ASN . 1.0 OUTLIER 56.51 -110.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.651 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -107.38 -1.37 21.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.706 -179.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.631 ' ND1' ' HG ' ' A' ' 53' ' ' LEU . 3.4 m-70 -109.21 156.87 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 110.99 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.657 HH11 ' CD2' ' A' ' 49' ' ' HIS . 11.6 ttm-85 -108.72 123.36 48.88 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.011 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -109.23 153.98 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.438 179.383 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.659 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 38.4 m-85 -113.1 150.19 32.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.494 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.33 -12.35 60.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.534 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 65.1 mtm -145.47 143.23 29.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.774 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.1 m -64.11 171.82 2.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.709 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.642 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 15.6 tttm -54.96 -47.04 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -61.88 -65.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 8.4 p -59.01 -28.24 66.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.758 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' O ' ' OG ' ' A' ' 38' ' ' SER . 8.5 t80 -58.4 -49.39 77.45 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.09 -43.23 87.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.377 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.4 -31.17 71.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.123 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 34' ' ' CYS . 79.8 p -64.76 -29.73 70.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.258 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 35' ' ' PHE . 2.7 mt -65.97 -34.09 67.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -66.84 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.115 -1.402 . . . . 0.0 109.652 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 m -67.82 -51.76 44.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.27 -52.95 35.96 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 38' ' ' SER . 67.9 t0 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.528 -0.336 . . . . 0.0 111.395 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.431 ' CG ' ' CE ' ' A' ' 30' ' ' MET . 10.1 m80 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.487 0.184 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -151.88 158.16 27.63 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.04 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.657 ' CD2' HH11 ' A' ' 26' ' ' ARG . 11.3 p-80 -133.43 161.47 34.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.345 -0.428 . . . . 0.0 110.774 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.44 136.53 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -118.48 144.92 45.66 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 143.97 44.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.631 ' HG ' ' ND1' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -112.67 66.94 0.65 Allowed 'General case' 1 C--N 1.241 -4.114 2 O-C-N 112.447 -6.408 . . . . 0.0 110.873 -179.746 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.651 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER 33.72 38.12 0.02 OUTLIER 'General case' 1 C--N 1.201 -5.891 0 O-C-N 119.828 -1.795 . . . . 0.0 110.359 177.783 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.651 ' CD1' ' O ' ' A' ' 54' ' ' MET . 0.8 OUTLIER 155.02 -37.6 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 O-C-N 124.062 0.852 . . . . 0.0 111.181 -179.701 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -106.75 164.41 12.12 Favored 'General case' 0 C--N 1.272 -2.801 2 O-C-N 112.178 -6.577 . . . . 0.0 110.966 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -119.32 144.86 46.6 Favored 'General case' 1 C--N 1.146 -8.269 0 O-C-N 116.934 -3.604 . . . . 0.0 110.655 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.49 160.66 38.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -135.82 144.44 45.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HG3' ' NE2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.209 0.528 . . . . 0.0 110.372 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.692 ' OD2' ' CD2' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -16.59 135.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.044 -179.145 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -139.89 160.27 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.247 0.546 . . . . 0.0 111.371 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.48 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 3.4 ttp85 -140.81 161.72 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.153 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.48 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.5 p -107.55 130.07 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -137.11 90.13 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.993 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.41 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 40.6 t-20 66.99 -130.12 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.75 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 27.7 mtm180 -87.36 -2.71 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.013 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 7.5 m-70 -108.93 160.6 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.138 0.494 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.5 mp -108.14 161.28 15.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.81 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -138.31 123.72 19.47 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.497 -179.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.525 HG23 ' N ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -111.49 165.26 6.73 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.838 0 O-C-N 117.086 -3.508 . . . . 0.0 110.141 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.692 ' CD2' ' OD2' ' A' ' 17' ' ' ASP . 2.7 m-30 -115.03 121.1 42.07 Favored 'General case' 1 C--N 1.211 -5.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.013 179.537 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.442 ' C ' ' CG ' ' A' ' 30' ' ' MET . 18.0 m-20 -38.91 -15.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.424 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.673 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -154.91 146.05 22.77 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.531 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.61 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.9 m -66.06 165.27 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.453 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -55.21 -38.69 68.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.229 179.22 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -67.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.534 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.624 ' O ' ' N ' ' A' ' 38' ' ' SER . 6.0 p -63.09 -27.91 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.61 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 19.9 t80 -57.49 -47.3 82.28 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.7 m-80 -65.41 -42.05 92.96 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.784 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.83 74.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.771 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 34' ' ' CYS . 12.6 p -61.38 -29.76 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.356 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.5 mm -66.45 -29.71 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -69.94 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.38 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 m -68.58 -52.69 28.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.978 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.71 -50.99 50.72 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' SER . 12.1 t70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.754 0.311 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.2 m80 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.867 0.365 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.12 170.99 42.3 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.81 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -140.76 159.07 42.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.408 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.496 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -119.28 140.7 42.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 116.466 -3.896 . . . . 0.0 110.164 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -125.38 140.83 52.46 Favored 'General case' 1 C--N 1.206 -5.635 0 O-C-N 119.061 -2.274 . . . . 0.0 111.27 -179.872 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 144.48 37.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.331 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 24' ' ' HIS . 1.1 tp -112.92 169.52 8.86 Favored 'General case' 1 C--N 1.169 -7.255 0 O-C-N 118.738 -2.476 . . . . 0.0 110.783 -178.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -60.95 -1.07 0.37 Allowed 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.971 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 1.7 p90 -176.23 0.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.195 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.494 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -135.16 160.04 39.64 Favored 'General case' 0 C--N 1.277 -2.546 1 O-C-N 115.393 -4.567 . . . . 0.0 110.895 179.386 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.25 147.36 35.19 Favored 'General case' 0 C--N 1.249 -3.767 1 O-C-N 115.122 -4.736 . . . . 0.0 110.079 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -130.5 154.41 47.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.923 0.392 . . . . 0.0 110.819 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 24.7 mttp -140.45 139.18 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.855 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 14.6 tt0 . . . . . 0 C--N 1.323 -0.582 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.509 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.614 ' N ' ' HG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.132 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.593 ' C ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -16.61 119.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.716 -179.38 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.531 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -140.99 157.94 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.471 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.7 ttp85 -141.64 161.81 37.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.538 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -106.74 125.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 109.935 -179.701 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 24' ' ' HIS . 5.5 ttmt -128.35 161.2 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.128 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.69 ' C ' ' H ' ' A' ' 24' ' ' HIS . 2.0 m120 -10.47 91.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.449 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.468 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 7.6 mtm105 46.64 1.35 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.452 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.699 ' N ' ' O ' ' A' ' 21' ' ' LYS . 6.6 m170 -109.92 162.01 14.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.277 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mp -106.8 160.1 15.74 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.687 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 19.4 ttt85 -136.44 117.03 13.87 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.03 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.57 156.41 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.543 ' O ' ' N ' ' A' ' 30' ' ' MET . 4.9 m-30 -108.44 129.93 55.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.486 ' C ' ' CG ' ' A' ' 30' ' ' MET . 1.3 m-80 -42.74 -17.1 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.566 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -157.43 149.74 22.74 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.356 -0.537 . . . . 0.0 111.267 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.614 ' HG ' ' N ' ' A' ' 16' ' ' ARG . 3.6 m -66.46 172.74 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.449 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 7.5 ttpt -58.07 -45.41 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.703 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.97 -67.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -52.8 -27.85 19.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.253 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.579 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -61.62 -45.12 95.41 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.4 m-80 -64.05 -39.65 94.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.737 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.26 -30.39 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.446 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 43' ' ' ASP . 4.9 p -65.03 -29.59 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.021 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.8 mt -66.37 -29.78 47.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -70.75 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.359 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -68.78 -52.68 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.854 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.609 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.42 -48.5 68.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 38' ' ' SER . 5.4 t70 . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 0.0 110.501 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.597 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.484 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.8 162.16 34.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.687 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 1.7 p-80 -139.96 160.28 40.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 0.0 110.742 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.484 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -117.56 142.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.009 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -126.97 135.31 50.7 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.023 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.533 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -109.78 139.59 44.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.83 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.9 mp -112.88 162.24 16.05 Favored 'General case' 1 C--N 1.175 -7.017 0 O-C-N 117.525 -3.234 . . . . 0.0 110.416 -179.706 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -10.29 0.12 Allowed 'General case' 0 C--N 1.247 -3.881 0 O-C-N 120.887 -1.133 . . . . 0.0 110.701 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -169.97 11.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.116 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.65 33.85 Favored 'General case' 0 C--N 1.266 -3.034 1 O-C-N 114.409 -5.182 . . . . 0.0 111.02 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.556 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -133.12 129.11 37.48 Favored 'General case' 1 C--N 1.221 -5.021 1 O-C-N 115.536 -4.477 . . . . 0.0 110.214 179.443 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.55 160.29 32.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.33 144.08 49.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.386 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.574 ' CD ' ' N ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.45 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' CE3' ' A' ' 18' ' ' TRP . 1.5 tmm_? . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.604 0.24 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -71.79 105.65 3.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.364 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.595 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 2.4 p90 -141.72 161.53 37.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.508 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 5.8 ttp85 -140.69 162.2 35.95 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 116.403 -3.936 . . . . 0.0 110.151 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' CD2' ' A' ' 25' ' ' LEU . 43.4 t -110.11 115.6 50.14 Favored 'Isoleucine or valine' 1 C--N 1.216 -5.217 0 O-C-N 118.191 -2.818 . . . . 0.0 110.788 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 24' ' ' HIS . 20.1 ttmt -119.64 119.07 32.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 47.82 -134.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.287 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 3.24 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 21' ' ' LYS . 6.5 m170 -109.7 156.04 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.552 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.535 ' CD2' HG22 ' A' ' 20' ' ' VAL . 12.0 mt -109.28 139.02 44.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.784 ' NH1' ' CG ' ' A' ' 49' ' ' HIS . 4.6 ttm-85 -109.24 125.28 52.1 Favored 'General case' 0 C--N 1.248 -3.82 0 O-C-N 116.72 -3.738 . . . . 0.0 110.854 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 2.4 mt -113.82 158.62 14.1 Favored 'Isoleucine or valine' 1 C--N 1.188 -6.447 0 O-C-N 120.21 -1.556 . . . . 0.0 109.527 178.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.5 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 41.0 m-85 -115.71 157.88 23.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.389 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 5.7 m-80 -81.24 1.71 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.423 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.583 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 4.7 mpp? -153.93 132.33 12.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.381 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.611 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.9 m -53.29 164.33 0.47 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.544 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -54.14 -43.45 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.73 179.765 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -67.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.546 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -58.9 -27.46 65.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 3.2 t80 -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.4 m-80 -65.4 -40.11 93.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.46 -29.67 69.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.33 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.671 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -65.04 -28.89 69.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.798 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 39' ' ' ILE . 16.1 mt -65.21 -28.98 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -71.77 0.4 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.879 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m -70.19 -51.89 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.212 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.74 -40.12 95.58 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.585 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.666 ' N ' ' O ' ' A' ' 38' ' ' SER . 18.7 t70 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.813 0.339 . . . . 0.0 110.548 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 47' ' ' HIS . 40.9 p-80 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.841 0.353 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.609 ' O ' ' ND2' ' A' ' 29' ' ' ASN . . . -173.1 154.15 19.89 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.784 ' CG ' ' NH1' ' A' ' 26' ' ' ARG . 9.4 p-80 -134.22 160.19 38.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.566 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.568 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.0 t -116.78 138.77 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.49 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.686 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -120.97 135.26 55.25 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.495 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.436 ' C ' HD12 ' A' ' 53' ' ' LEU . 7.5 m95 -109.64 140.56 43.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.691 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 53' ' ' LEU . 7.6 mp -110.75 168.08 9.75 Favored 'General case' 1 C--N 1.192 -6.262 0 O-C-N 118.015 -2.928 . . . . 0.0 110.547 -179.604 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -1.14 0.1 Allowed 'General case' 0 C--N 1.27 -2.849 0 O-C-N 121.495 -0.753 . . . . 0.0 111.237 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.681 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 1.2 p90 -177.03 5.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.251 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.35 162.35 33.82 Favored 'General case' 0 C--N 1.276 -2.621 1 O-C-N 115.391 -4.568 . . . . 0.0 111.074 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -114.01 139.37 49.32 Favored 'General case' 1 C--N 1.235 -4.406 0 O-C-N 116.449 -3.907 . . . . 0.0 110.316 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -131.22 153.08 49.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.739 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.568 ' HG3' HG22 ' A' ' 50' ' ' VAL . 9.0 mtmt -141.02 145.02 35.36 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.23 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.49 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 2.2 tt0 . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.108 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.527 ' OD2' ' CD2' ' A' ' 28' ' ' TYR . 25.8 t0 -83.29 108.73 16.7 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.797 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -140.17 160.26 40.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.156 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.604 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 5.8 ttp85 -141.05 161.62 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.13 127.5 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.771 ' HZ2' HH22 ' A' ' 26' ' ' ARG . 6.7 ttmt -129.81 99.76 5.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 61.65 -119.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -95.02 -5.44 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.298 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.61 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.0 m170 -109.32 159.45 16.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 0.0 110.928 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.61 HD12 ' C ' ' A' ' 24' ' ' HIS . 9.7 mp -109.32 138.5 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.771 HH22 ' HZ2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -108.92 124.75 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.888 -179.338 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -111.24 158.56 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.338 179.096 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.604 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 31.9 m-85 -117.48 159.73 22.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.607 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.7 HD22 ' C ' ' A' ' 48' ' ' GLY . 10.0 m-80 -88.46 4.59 45.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.514 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 3.4 mpp? -150.59 119.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.136 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 m -43.07 169.26 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.969 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 2.4 tmtp? -59.76 -41.1 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 110.27 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -65.65 -66.35 0.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.341 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.684 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.21 -27.75 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.816 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 4.3 t80 -54.57 -47.88 72.75 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 5.7 m-80 -65.87 -43.44 88.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.024 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -31.03 71.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.843 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.8 p -59.12 -29.36 67.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 13.8 mm -65.64 -29.36 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.4 -71.27 0.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.142 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -69.17 -52.97 22.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.063 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.623 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.27 -45.92 89.1 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.674 ' N ' ' O ' ' A' ' 38' ' ' SER . 6.1 t70 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 0.0 110.6 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.7 ' C ' HD22 ' A' ' 29' ' ' ASN . . . -172.27 151.66 15.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.708 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -140.34 160.16 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.385 179.747 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.532 ' CG1' ' HE1' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -119.64 146.48 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 -179.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.52 ' OD1' ' CD ' ' A' ' 60' ' ' GLU . 1.8 m-20 -128.24 135.71 50.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.638 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.532 ' HE1' ' CG1' ' A' ' 50' ' ' VAL . 15.6 m95 -110.12 140.3 44.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.101 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' A' ' 55' ' ' TYR . 5.5 mp -109.25 78.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.819 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.6 ptt? 38.26 9.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.153 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.719 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER 175.92 -20.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.456 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.42 159.49 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.62 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.05 136.15 49.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.06 160.35 39.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -124.07 143.97 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.623 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 3.8 pt-20 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.964 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 32' ' ' LYS . 1.4 m-20 -55.07 126.53 25.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.324 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -140.15 164.1 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.12 168.7 19.73 Favored 'General case' 0 C--N 1.281 -2.372 3 O-C-N 108.88 -8.637 . . . . 0.0 110.241 -178.17 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.53 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -115.61 133.78 60.91 Favored 'Isoleucine or valine' 1 C--N 1.092 -10.627 2 O-C-N 112.764 -6.21 . . . . 0.0 110.546 -178.821 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.668 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -138.58 114.62 10.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.584 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 47.5 t-20 48.26 -127.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 7.0 mtm180 -88.86 2.68 53.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.605 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.6 m-70 -116.38 156.97 25.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.102 0.477 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 24' ' ' HIS . 4.4 mm? -109.4 136.49 48.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.668 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -107.06 118.19 36.04 Favored 'General case' 0 C--N 1.281 -2.385 0 O-C-N 121.029 -1.044 . . . . 0.0 111.162 -179.044 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 3.3 mt -108.62 154.9 9.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.624 -1.297 . . . . 0.0 109.62 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.428 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 37.5 m-85 -111.63 156.52 21.69 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.921 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 30' ' ' MET . 61.8 m-20 -96.28 52.11 1.24 Allowed 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.646 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.578 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 2.2 mtp 157.23 141.23 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.607 0.718 . . . . 0.0 110.566 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.673 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -66.47 157.87 30.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.008 -179.718 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.2 ttpp -44.74 -36.84 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.512 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 34' ' ' CYS . 4.9 m -65.49 -70.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.673 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.85 -28.74 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.9 -46.35 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.0 m-80 -66.21 -42.06 89.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.276 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -34.23 77.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.827 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.7 p -58.47 -29.8 66.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.21 -30.83 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -71.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.316 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.8 m -69.23 -52.67 25.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.352 -1.294 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.616 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.58 -44.03 93.48 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.347 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.1 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.03 0.443 . . . . 0.0 110.032 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.509 ' N ' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.584 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.22 156.82 26.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.578 ' O ' ' OE2' ' A' ' 60' ' ' GLU . 25.5 p-80 -140.55 160.49 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.212 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.88 138.39 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.478 ' OD2' ' OE2' ' A' ' 60' ' ' GLU . 1.9 m-20 -121.96 134.56 54.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.943 0.401 . . . . 0.0 111.008 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -109.48 137.59 47.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.622 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -108.53 161.26 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 0.0 110.53 -179.368 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.404 ' H ' ' HG ' ' A' ' 53' ' ' LEU . 22.8 ptm -68.54 25.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.029 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.622 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -171.24 -34.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.416 -179.324 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.581 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 23.2 p -139.3 160.84 38.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 15.5 p-10 -109.7 150.0 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.63 154.87 51.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -140.54 144.52 35.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.236 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.626 ' CD ' ' N ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.575 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -90.62 108.24 19.68 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.234 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.509 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 7.4 p90 -140.89 161.31 38.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.513 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 5.8 ttp85 -140.1 161.0 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.412 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 72.4 t -109.07 119.45 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.566 ' O ' ' O ' ' A' ' 24' ' ' HIS . 2.3 tppt? -121.57 129.09 52.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.3 m120 38.44 -121.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -95.83 3.3 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 21' ' ' LYS . 4.3 m170 -117.6 156.37 28.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.099 0.476 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 10.2 mp -109.26 136.51 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.682 ' NH1' ' OH ' ' A' ' 28' ' ' TYR . 9.0 ttp85 -109.01 125.51 52.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.9 mt -111.01 157.77 11.77 Favored 'Isoleucine or valine' 1 C--N 1.221 -4.991 0 O-C-N 117.513 -3.242 . . . . 0.0 109.594 179.572 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.682 ' OH ' ' NH1' ' A' ' 26' ' ' ARG . 56.7 m-85 -116.02 127.39 54.87 Favored 'General case' 1 C--N 1.223 -4.919 0 O-C-N 119.828 -1.795 . . . . 0.0 109.661 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 30' ' ' MET . 42.1 t30 -61.8 -4.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.557 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.607 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 3.1 mtt -153.92 119.3 5.15 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.538 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.622 ' O ' ' N ' ' A' ' 35' ' ' PHE . 8.0 m -67.21 166.14 14.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.646 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.675 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttp -37.91 -48.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.29 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 m -66.09 -63.34 1.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.703 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -59.65 -28.27 67.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.982 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.622 ' N ' ' O ' ' A' ' 31' ' ' CYS . 79.9 t80 -65.06 -46.12 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.675 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.1 m-80 -65.82 -39.24 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.9 -31.83 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.738 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.637 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.4 p -64.27 -28.63 69.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.016 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.3 -31.55 54.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -79.05 -68.97 0.61 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.425 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -67.89 -51.1 51.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.988 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.53 -47.65 75.87 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.507 ' OD1' ' C ' ' A' ' 43' ' ' ASP . 31.3 t0 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 0.0 111.031 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.85 0.357 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.88 120.04 2.13 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.548 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 3.8 p-80 -130.79 157.91 41.56 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.996 0.427 . . . . 0.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 59' ' ' LYS . 1.7 t -113.41 131.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 116.49 -3.881 . . . . 0.0 110.339 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -115.02 136.46 53.1 Favored 'General case' 1 C--N 1.227 -4.718 0 O-C-N 117.086 -3.508 . . . . 0.0 110.754 179.143 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -109.41 146.7 34.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.222 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.0 mp -112.35 171.2 7.66 Favored 'General case' 1 C--N 1.156 -7.809 0 O-C-N 116.536 -3.852 . . . . 0.0 110.472 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -61.37 -1.08 0.46 Allowed 'General case' 0 C--N 1.263 -3.167 0 O-C-N 120.684 -1.26 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 55' ' ' TYR . 1.1 p90 -174.37 2.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.24 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.27 162.29 33.92 Favored 'General case' 0 C--N 1.252 -3.635 1 O-C-N 113.597 -5.69 . . . . 0.0 110.999 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 155.29 25.4 Favored 'General case' 1 C--N 1.222 -4.952 1 O-C-N 113.856 -5.527 . . . . 0.0 110.29 179.838 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -138.59 154.63 48.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HG2' HG22 ' A' ' 50' ' ' VAL . 42.3 mtpt -140.98 134.45 29.91 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 . . . . . 0 C--N 1.322 -0.593 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.019 179.174 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -82.98 106.5 14.86 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -140.35 161.11 38.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 19' ' ' ARG . 3.6 ttp85 -140.37 167.98 20.88 Favored 'General case' 1 C--N 1.194 -6.19 3 O-C-N 107.511 -9.493 . . . . 0.0 110.628 -179.198 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 t -116.72 119.29 61.53 Favored 'Isoleucine or valine' 1 C--N 1.162 -7.584 3 O-C-N 108.799 -8.688 . . . . 0.0 110.41 -179.158 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.691 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 7.0 tptm -120.77 125.69 48.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.256 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 40.93 -120.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 4.46 45.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.842 0.353 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -109.43 157.66 18.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.498 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 11.6 mt -109.3 136.17 49.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.691 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -111.15 122.62 48.36 Favored 'General case' 0 C--N 1.37 1.488 0 O-C-N 120.84 -1.163 . . . . 0.0 111.135 -178.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.545 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.5 mt -109.38 159.64 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.9 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.545 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 45.7 m-85 -118.84 158.94 24.66 Favored 'General case' 0 C--N 1.245 -3.942 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.646 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.592 HD22 ' CA ' ' A' ' 48' ' ' GLY . 18.2 m-20 -84.8 -1.38 56.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.827 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -147.43 131.59 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.516 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.633 ' O ' ' N ' ' A' ' 35' ' ' PHE . 2.9 m -57.75 162.61 3.02 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.63 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -46.65 -52.0 14.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.384 . . . . 0.0 111.216 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 m -60.85 -67.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.509 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.29 -27.68 56.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.291 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.633 ' N ' ' O ' ' A' ' 31' ' ' CYS . 2.9 t80 -62.13 -45.88 91.51 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.63 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -65.66 -41.55 92.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.852 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' SER . 1.5 t-20 -66.74 -34.52 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.919 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.642 ' O ' ' CA ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.41 -32.28 70.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.974 179.502 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 2.7 mt -65.77 -30.72 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.52 -70.22 0.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.835 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.8 m -68.44 -52.19 35.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.135 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.642 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.23 -41.75 96.65 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.642 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.9 t0 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.94 0.4 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.592 ' CA ' HD22 ' A' ' 29' ' ' ASN . . . -146.58 159.36 27.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.633 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.73 156.99 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.422 . . . . 0.0 111.024 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.739 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.8 t -118.7 123.18 71.12 Favored 'Isoleucine or valine' 1 C--N 1.231 -4.558 3 O-C-N 107.749 -9.344 . . . . 0.0 110.528 179.851 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 1.9 m-20 -107.8 137.33 46.0 Favored 'General case' 1 C--N 1.148 -8.169 3 O-C-N 109.126 -8.484 . . . . 0.0 110.429 179.276 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.466 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -110.29 139.01 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.18 179.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.627 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -107.82 158.61 17.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -70.64 26.19 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.164 0.507 . . . . 0.0 109.811 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -162.13 -42.11 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.915 -179.488 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.582 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 1.8 t -140.88 160.29 40.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.721 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -113.43 158.19 20.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.512 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.08 155.08 47.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.611 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.739 ' CG ' HG22 ' A' ' 50' ' ' VAL . 4.9 mtmt -133.39 137.85 46.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.5 pm0 . . . . . 0 C--N 1.326 -0.415 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.013 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 5.9 tpp180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.773 0.321 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.569 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.6 p-10 -66.08 130.7 44.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.454 ' CD1' ' N ' ' A' ' 18' ' ' TRP . 6.4 p-90 -140.86 160.05 40.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.635 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -140.68 160.89 39.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.475 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 32.2 t -108.66 112.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.131 0.491 . . . . 0.0 110.268 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -117.31 114.28 23.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 49.61 -130.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -88.25 1.24 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.498 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.746 ' CE1' HD11 ' A' ' 53' ' ' LEU . 5.0 m170 -111.03 161.26 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -108.16 161.05 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.241 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 2.8 ttt180 -134.07 117.87 17.11 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.177 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 2.6 mp -111.68 155.36 13.05 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.385 0 O-C-N 117.602 -3.186 . . . . 0.0 109.537 179.166 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.635 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.8 m-85 -118.42 154.35 32.59 Favored 'General case' 1 C--N 1.213 -5.336 0 O-C-N 120.508 -1.37 . . . . 0.0 110.986 -178.682 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 30' ' ' MET . 36.8 m-80 -89.54 44.02 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.482 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 3.2 mtm 159.71 139.59 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.995 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -60.22 171.36 1.04 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.722 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.513 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.3 tptt -59.21 -36.09 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.24 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 m -65.53 -66.41 0.55 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.72 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.695 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.4 p -55.14 -26.85 41.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.525 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' O ' ' OG ' ' A' ' 38' ' ' SER . 23.5 t80 -55.3 -48.67 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 0.0 109.886 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.6 m-80 -65.29 -42.15 93.41 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -31.87 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.742 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 34' ' ' CYS . 28.6 p -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.983 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 4.0 mt -65.03 -29.39 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -70.36 0.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.215 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 m -68.18 -50.94 51.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.967 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.4 -47.56 77.81 Favored Glycine 0 C--N 1.33 0.227 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 38' ' ' SER . 9.7 t70 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 0.0 110.977 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.9 m80 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.858 0.361 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 169.55 154.44 9.2 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.785 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 15.9 p-80 -140.37 159.1 42.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.136 0.494 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -113.96 128.62 70.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 116.542 -3.849 . . . . 0.0 109.975 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 2.4 m-20 -123.88 142.17 51.38 Favored 'General case' 1 C--N 1.218 -5.14 0 O-C-N 118.488 -2.632 . . . . 0.0 110.631 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -109.71 148.94 30.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.025 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.746 HD11 ' CE1' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -112.79 168.85 9.34 Favored 'General case' 1 C--N 1.155 -7.88 0 O-C-N 118.235 -2.791 . . . . 0.0 110.084 -179.647 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -66.59 4.51 0.76 Allowed 'General case' 0 C--N 1.285 -2.201 0 O-C-N 120.998 -1.064 . . . . 0.0 110.966 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.628 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.2 OUTLIER -173.16 -4.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.962 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.628 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -136.01 161.03 36.82 Favored 'General case' 0 C--N 1.249 -3.779 1 O-C-N 114.813 -4.93 . . . . 0.0 110.986 179.758 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 58' ' ' ALA . 2.5 t0 -112.68 144.83 41.53 Favored 'General case' 0 C--N 1.251 -3.679 1 O-C-N 114.299 -5.25 . . . . 0.0 109.993 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.667 ' N ' ' OD1' ' A' ' 57' ' ' ASP . . . -124.95 153.61 42.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.42 142.44 35.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.057 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 4.4 tt0 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.577 ' N ' ' CD ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.599 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -87.41 139.9 30.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 p90 -140.2 157.69 45.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.951 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -141.45 161.93 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.296 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 8.1 t -108.01 116.57 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.047 0.451 . . . . 0.0 110.716 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.846 ' HZ2' HH21 ' A' ' 26' ' ' ARG . 5.4 ttmt -119.33 109.99 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.541 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.722 ' N ' HD22 ' A' ' 22' ' ' ASN . 0.7 OUTLIER 54.04 -131.69 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.511 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -88.03 1.36 54.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.895 ' CE1' HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -109.48 159.57 16.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' C ' ' A' ' 24' ' ' HIS . 3.6 mm? -109.08 138.24 45.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.846 HH21 ' HZ2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -109.2 116.92 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.321 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.83 153.08 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.958 178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 30.8 m-85 -110.15 150.53 28.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.676 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -69.61 -17.54 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.624 -179.464 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.571 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 12.2 mtm -145.79 156.45 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.528 ' N ' ' HB3' ' A' ' 16' ' ' ARG . 3.6 m -65.28 172.78 2.9 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.616 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.517 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -60.13 -44.04 95.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 m -65.89 -68.72 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.093 0.473 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -47.96 -28.1 2.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.467 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.44 -45.94 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.0 m-80 -65.51 -39.18 91.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -31.74 72.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.467 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.629 ' O ' ' CA ' ' A' ' 42' ' ' GLY . 1.0 OUTLIER -60.31 -29.91 69.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -30.66 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -78.74 -70.74 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.205 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 m -68.8 -52.03 34.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.078 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.629 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.24 -45.52 90.85 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.9 t0 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.96 0.409 . . . . 0.0 110.548 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.648 ' CG ' ' O ' ' A' ' 47' ' ' HIS . 6.6 p-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.92 160.47 33.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.608 ' CD2' HH11 ' A' ' 26' ' ' ARG . 14.6 p-80 -139.77 160.17 40.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.81 136.95 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.214 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.89 131.81 54.23 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.471 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.36 140.44 43.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.988 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.895 HD21 ' CE1' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -111.44 155.71 22.76 Favored 'General case' 1 C--N 1.19 -6.356 0 O-C-N 118.966 -2.333 . . . . 0.0 110.479 -179.191 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.414 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -50.65 -10.12 0.06 Allowed 'General case' 0 C--N 1.26 -3.31 0 O-C-N 120.826 -1.171 . . . . 0.0 110.735 -178.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.614 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.3 OUTLIER -166.21 8.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.237 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.614 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -135.63 158.02 45.42 Favored 'General case' 0 C--N 1.269 -2.923 1 O-C-N 115.925 -4.235 . . . . 0.0 110.882 179.305 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -121.17 139.73 52.96 Favored 'General case' 1 C--N 1.241 -4.116 0 O-C-N 116.658 -3.776 . . . . 0.0 110.489 179.772 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.71 155.33 49.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -140.47 141.2 35.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' OE2' ' C ' ' A' ' 60' ' ' GLU . 3.6 tp10 . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 121.081 0.467 . . . . 0.0 109.788 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.734 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.926 0.393 . . . . 0.0 111.414 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 18.4 p-10 -85.95 125.35 33.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.709 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -141.42 161.84 36.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.102 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 7.9 ttp85 -140.7 160.43 40.05 Favored 'General case' 1 C--O 1.107 -6.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.96 -178.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.471 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 94.9 t -109.3 110.75 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.798 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.1 OUTLIER -109.78 117.31 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.662 -179.773 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 1.4 m-20 46.41 -125.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -90.39 -0.25 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.355 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.771 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -111.17 157.14 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.4 mp -109.76 138.98 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.798 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -109.36 124.16 50.52 Favored 'General case' 1 C--O 1.093 -7.133 0 CA-C-O 124.337 2.018 . . . . 0.0 110.86 -179.445 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mt -110.8 151.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 O-C-N 120.133 -1.604 . . . . 0.0 109.843 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.529 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.1 m-85 -117.84 160.75 20.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.939 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.64 ' C ' ' SD ' ' A' ' 30' ' ' MET . 7.3 m-80 -91.74 -18.12 24.39 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.363 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.64 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 2.1 mpp? -134.9 136.43 42.35 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.179 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.2 m -61.03 176.42 0.42 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.562 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 8.9 tttp -56.91 -35.27 68.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -70.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.679 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 1.2 p -61.19 -27.58 68.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.595 ' O ' ' OG ' ' A' ' 38' ' ' SER . 5.5 t80 -54.08 -49.31 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.37 0.605 . . . . 0.0 109.56 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.0 m-80 -66.76 -38.94 87.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.208 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.8 t-20 -65.72 -36.13 82.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.86 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.66 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -57.16 -29.2 63.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 7.0 mm -65.64 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -79.28 -64.69 1.13 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.36 178.222 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -66.87 -52.34 44.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -64.92 -48.83 67.03 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 38.0 t70 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.533 -0.333 . . . . 0.0 111.279 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.519 ' HE2' ' HA3' ' A' ' 42' ' ' GLY . 8.9 m-70 . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 47' ' ' HIS . . . -147.74 161.1 28.49 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.71 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -135.36 159.54 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.97 0.414 . . . . 0.0 110.739 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -112.08 140.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.736 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -122.56 134.25 54.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.653 179.418 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -109.99 138.95 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.133 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -109.6 77.32 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.023 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.3 ptm 38.18 7.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.358 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER 178.03 -21.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.329 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.704 ' OG1' ' CZ ' ' A' ' 55' ' ' TYR . 23.1 m -111.8 160.09 17.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 56' ' ' THR . 4.9 t70 -131.44 137.7 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.524 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.06 160.23 40.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.336 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -116.75 140.61 49.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.657 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 6.1 pt-20 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.829 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' CE1' ' A' ' 3' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.56 166.37 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.496 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 1' ' ' GLY . 9.3 m-85 -130.69 -128.01 0.2 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.491 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -106.94 1.21 24.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.262 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 m -60.79 174.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -138.82 99.14 8.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -79.07 168.85 20.04 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.621 2.214 . . . . 0.0 112.204 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.763 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -55.52 168.66 0.37 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.281 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.763 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 15.7 m -128.9 -32.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.354 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 10' ' ' VAL . 1.3 t -63.36 -19.24 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.654 ' C ' ' H ' ' A' ' 13' ' ' VAL . 3.8 m -125.6 -29.83 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.713 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER 51.06 3.67 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.105 179.092 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.654 ' H ' ' C ' ' A' ' 11' ' ' CYS . 14.2 m -109.0 0.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.227 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.674 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -139.47 153.57 70.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.138 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 57.3 Cg_endo -73.37 -68.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.902 2.401 . . . . 0.0 112.055 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.8 OUTLIER 160.15 112.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.676 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 2.6 p-10 -33.98 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -141.21 157.74 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.204 0.526 . . . . 0.0 111.04 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.2 tpp85 -141.08 165.3 27.93 Favored 'General case' 2 C--O 1.094 -7.096 0 O-C-N 119.645 -1.91 . . . . 0.0 109.826 179.714 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.448 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.2 t -111.95 125.43 69.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 118.095 -2.878 . . . . 0.0 110.645 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' NZ ' ' NH2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -118.79 98.2 6.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -179.367 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 27.45 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.283 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 67.36 -13.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.927 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.602 ' C ' HD22 ' A' ' 25' ' ' LEU . 5.3 m-70 -109.46 155.89 20.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.828 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.602 HD22 ' C ' ' A' ' 24' ' ' HIS . 4.2 mm? -109.94 132.46 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.458 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.634 ' NH2' ' O2B' ' A' 1318 ' ' ATP . 1.2 ttp180 -113.49 125.88 54.7 Favored 'General case' 1 C--O 1.098 -6.905 0 CA-C-O 124.418 2.056 . . . . 0.0 111.087 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.1 mp -109.41 164.1 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 120.135 -1.603 . . . . 0.0 109.36 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 49.7 m-85 -120.69 160.36 23.47 Favored 'General case' 1 C--N 1.209 -5.534 0 O-C-N 120.77 -1.206 . . . . 0.0 110.286 -179.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.485 ' ND2' ' SD ' ' A' ' 30' ' ' MET . 31.8 t30 -85.87 -14.4 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.751 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.621 ' SD ' ' O ' ' A' ' 46' ' ' TYR . 3.2 mpp? -140.25 138.04 34.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.611 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.747 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.7 m -56.96 171.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -57.12 -42.43 80.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.0 m -65.15 -67.03 0.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.747 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.5 p -56.5 -28.97 61.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.179 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 11.0 t80 -59.85 -50.46 73.7 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.3 m-80 -65.24 -40.57 94.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -66.68 -34.14 77.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.49 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.2 p -57.49 -30.73 65.34 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 39' ' ' ILE . 12.8 mm -66.26 -33.58 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -78.55 -69.82 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.554 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -68.4 -52.61 31.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.024 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.66 -48.98 62.44 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.665 ' N ' ' O ' ' A' ' 38' ' ' SER . 44.4 t0 60.2 -51.76 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.907 0.384 . . . . 0.0 110.266 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.711 ' N ' ' O ' ' A' ' 42' ' ' GLY . 2.9 m-20 -157.98 58.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.441 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.609 ' C ' ' H ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -158.68 171.64 19.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.972 0.415 . . . . 0.0 111.018 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.621 ' O ' ' SD ' ' A' ' 30' ' ' MET . 3.9 m-85 52.0 2.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.755 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.609 ' H ' ' C ' ' A' ' 45' ' ' THR . 20.0 p-80 -72.29 103.62 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.397 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.89 152.24 21.34 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.87 ' CD2' " H3'" ' A' 1318 ' ' ATP . 0.0 OUTLIER -141.16 160.44 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.689 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -123.57 131.5 72.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 116.657 -3.777 . . . . 0.0 110.639 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -111.6 132.16 54.75 Favored 'General case' 1 C--N 1.212 -5.377 0 O-C-N 119.527 -1.983 . . . . 0.0 110.403 178.938 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.556 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -109.41 134.32 51.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.665 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.7 mp -108.45 159.86 16.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.434 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 6.5 ptt? -71.15 34.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.588 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -169.89 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.649 -179.148 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.51 162.05 36.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.094 0.474 . . . . 0.0 111.504 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD2' ' CZ2' ' A' ' 52' ' ' TRP . 9.9 t0 -109.27 149.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.538 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.9 159.84 41.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.641 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 14.8 mtpp -129.44 141.2 51.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.01 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.685 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 4.3 pt-20 -140.23 78.8 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.296 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -94.89 -110.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.18 102.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.686 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.2 p -107.04 -45.04 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.497 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.87 " H3'" ' CD2' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.99 -172.77 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.534 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -120.44 -175.09 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.293 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 6' ' ' LYS . 25.2 ttt85 -116.95 -14.39 10.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.983 0.42 . . . . 0.0 110.646 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 4' ' ' ARG . 1.8 m -35.45 92.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.603 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 2.8 tttp -96.92 -44.17 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.606 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 70.9 Cg_endo -83.29 -166.48 0.38 Allowed 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.834 2.356 . . . . 0.0 111.985 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.737 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 6.0 t -46.65 168.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.204 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.737 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -136.85 -19.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.053 -179.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.483 HG23 ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -82.0 -13.72 12.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.015 0.436 . . . . 0.0 109.956 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.825 ' O ' HG22 ' A' ' 13' ' ' VAL . 3.6 m -126.51 -27.9 3.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HG3' ' C ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 42.22 10.82 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.458 178.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 11' ' ' CYS . 3.0 m -111.25 -13.77 10.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.161 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.736 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -118.41 158.42 46.87 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.896 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.495 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 48.5 Cg_endo -72.23 -81.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.708 2.272 . . . . 0.0 111.588 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' CG ' ' C ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER 172.86 108.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.343 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.554 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 5.8 m-20 -32.17 131.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.538 ' CD1' ' N ' ' A' ' 18' ' ' TRP . 4.1 p-90 -140.24 157.54 45.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.0 ttp85 -140.85 160.54 39.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.001 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.4 p -108.98 134.31 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.572 ' CG ' HD22 ' A' ' 22' ' ' ASN . 0.5 OUTLIER -138.89 125.38 20.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.906 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.579 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 3.6 p30 39.15 -114.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.912 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.579 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 5.7 mtp180 -104.12 10.48 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.781 ' ND1' HD13 ' A' ' 53' ' ' LEU . 1.2 m-70 -120.3 156.87 30.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.201 0.524 . . . . 0.0 111.12 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 mm? -109.38 134.38 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.799 HH21 " H3'" ' A' 1318 ' ' ATP . 22.8 ttt180 -109.3 117.57 34.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.366 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -109.31 154.21 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.512 179.244 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.455 ' CD1' ' C5 ' ' A' 1318 ' ' ATP . 46.3 m-85 -111.61 160.32 17.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.454 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.465 ' C ' ' CG ' ' A' ' 30' ' ' MET . 43.4 t30 -75.31 -13.66 60.44 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.806 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.465 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 5.5 mtm -154.29 160.22 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.736 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 1.8 m -66.29 177.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.376 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' CB ' ' OD2' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -65.44 -33.71 76.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.021 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 m -66.71 -70.78 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.173 0.511 . . . . 0.0 110.087 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.643 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -44.81 -28.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.309 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD2' ' ND2' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -61.51 -48.04 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.533 ' ND2' ' CD2' ' A' ' 35' ' ' PHE . 2.2 m-80 -65.98 -41.98 90.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.304 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.56 -29.58 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.029 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 p -63.97 -28.67 69.97 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.44 -30.01 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -69.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.473 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.6 m -70.1 -50.93 35.86 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.101 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.678 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.7 -44.63 92.09 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.171 -178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.8 t0 59.02 -62.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.863 0.363 . . . . 0.0 110.795 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.678 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.4 p-10 -162.07 58.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.498 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.423 ' HG1' ' C ' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -168.03 42.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.222 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 47' ' ' HIS . 27.0 p90 -135.89 -27.06 1.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.34 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 46' ' ' TYR . 60.2 m-70 -40.88 132.17 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.919 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.24 126.48 0.85 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.692 ' ND1' ' OE1' ' A' ' 60' ' ' GLU . 43.8 p-80 -138.99 150.15 45.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.257 0.551 . . . . 0.0 110.261 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -109.92 146.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.706 -179.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 m-20 -133.95 137.82 45.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.941 0.401 . . . . 0.0 110.891 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.614 ' C ' HD22 ' A' ' 53' ' ' LEU . 6.1 m95 -114.16 141.34 47.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.153 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.781 HD13 ' ND1' ' A' ' 24' ' ' HIS . 2.6 mm? -109.54 77.32 1.05 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.664 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' LEU . 1.3 ptt? 28.21 25.74 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.921 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.743 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 174.48 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.303 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.679 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 1.2 m -109.33 155.35 21.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.925 0.393 . . . . 0.0 110.608 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' N ' ' CG2' ' A' ' 56' ' ' THR . 10.4 p-10 -114.07 139.73 49.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -122.35 156.01 34.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.28 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 66.6 mttt -140.68 135.67 31.87 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.645 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.692 ' OE1' ' ND1' ' A' ' 49' ' ' HIS . 1.5 tm-20 -141.33 78.11 1.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.363 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -115.7 -59.35 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.465 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m -75.13 -170.84 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -82.93 -176.49 6.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.555 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.799 " H3'" HH21 ' A' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 p -56.47 159.57 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -106.84 -55.29 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 4' ' ' ARG . 6.1 mtm180 63.67 46.8 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.709 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.11 -92.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.557 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -70.94 -45.79 15.28 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.227 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 17.6 Cg_exo -63.2 142.74 87.83 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.887 2.391 . . . . 0.0 111.526 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.778 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 6.0 t -47.77 169.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.778 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.8 p -143.43 -24.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -11.36 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.651 ' C ' ' H ' ' A' ' 13' ' ' VAL . 3.0 m -131.9 -33.96 1.33 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.781 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.97 1.6 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.873 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.651 ' H ' ' C ' ' A' ' 11' ' ' CYS . 3.0 m -102.11 -0.42 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.739 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.765 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -140.9 153.38 67.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 40.4 Cg_endo -72.03 -73.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.698 2.266 . . . . 0.0 111.894 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' CG ' ' C ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER 171.86 110.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.303 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.511 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 44.6 t0 -37.36 143.21 0.1 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.985 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.52 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 4.6 p90 -140.47 159.79 41.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.235 0.541 . . . . 0.0 110.941 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.67 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 0.3 OUTLIER -142.44 159.42 42.27 Favored 'General case' 1 C--O 1.07 -8.345 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.051 -178.858 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 1.9 t -107.24 132.64 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 110.398 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.708 ' NZ ' ' NH1' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -130.66 118.56 21.13 Favored 'General case' 1 C--O 1.137 -4.843 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.298 -179.261 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.551 ' C ' ' H ' ' A' ' 24' ' ' HIS . 2.5 m-20 22.55 88.14 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 126.611 2.444 . . . . 0.0 111.943 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' A' ' 23' ' ' ARG . 0.1 OUTLIER 57.97 -4.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.647 178.763 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.551 ' H ' ' C ' ' A' ' 22' ' ' ASN . 3.8 m170 -109.74 154.14 23.34 Favored 'General case' 1 C--O 1.078 -7.927 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.745 -179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mt -110.06 122.13 46.88 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 124.082 0.864 . . . . 0.0 109.433 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.708 ' NH1' ' NZ ' ' A' ' 21' ' ' LYS . 13.7 ttp-105 -102.06 123.67 46.34 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 125.975 2.047 . . . . 0.0 110.46 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 28' ' ' TYR . 1.0 OUTLIER -108.07 163.19 5.83 Favored 'Isoleucine or valine' 1 C--N 1.445 4.749 0 O-C-N 119.815 -1.803 . . . . 0.0 109.448 179.704 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' N ' HG23 ' A' ' 27' ' ' ILE . 55.1 m-85 -124.17 159.51 29.9 Favored 'General case' 1 C--N 1.441 4.582 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.821 -179.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.443 ' ND2' ' CE2' ' A' ' 61' ' ' PHE . 26.9 m-20 -81.91 -8.1 59.65 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 128.835 3.834 . . . . 0.0 110.973 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtm -147.59 148.47 31.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 111.356 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.9 m -65.86 169.34 6.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.613 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.4 tttp -54.53 -41.53 69.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.401 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -55.1 -27.75 47.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 8.7 t80 -57.67 -47.13 83.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.19 -40.65 90.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.8 t30 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.087 . . . . 0.0 109.124 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.649 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -56.65 -28.89 61.57 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.64 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -65.26 -29.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.39 -70.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.351 178.339 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.9 m -68.33 -52.12 36.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.006 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.4 -49.02 63.11 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 38' ' ' SER . 36.8 t0 56.49 -65.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.894 0.378 . . . . 0.0 111.015 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.687 ' N ' ' O ' ' A' ' 42' ' ' GLY . 19.5 p-10 -161.15 57.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.523 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -155.52 -60.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.737 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -68.8 43.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 45' ' ' THR . 6.1 p-80 -110.99 145.07 39.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.677 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.43 144.24 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.635 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 2.7 p-80 -140.45 154.34 46.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.434 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 t -111.48 133.87 55.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.405 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.619 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -116.57 132.71 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.918 0.39 . . . . 0.0 110.574 179.532 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 140.52 45.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.741 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 7.5 mp -110.75 169.98 8.4 Favored 'General case' 1 C--N 1.156 -7.833 0 O-C-N 116.795 -3.69 . . . . 0.0 110.406 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 ptm -67.31 2.74 1.5 Allowed 'General case' 0 C--N 1.27 -2.884 0 O-C-N 119.665 -1.897 . . . . 0.0 110.702 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 55' ' ' TYR . 4.8 p90 -174.16 7.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.724 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.56 164.95 28.78 Favored 'General case' 1 C--N 1.22 -5.044 1 O-C-N 114.635 -5.041 . . . . 0.0 110.626 -179.855 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.65 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -134.96 132.15 38.05 Favored 'General case' 1 C--N 1.242 -4.085 1 O-C-N 114.592 -5.067 . . . . 0.0 110.573 -179.714 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -119.26 160.01 23.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.541 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -140.46 139.96 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.996 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.635 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -139.68 78.41 1.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 179.519 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.443 ' CE2' ' ND2' ' A' ' 29' ' ' ASN . 1.7 t80 -90.75 -35.03 15.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.876 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 63' ' ' SER . 7.4 t -149.96 -63.66 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.486 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 62' ' ' SER . 53.8 m 48.63 100.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.455 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.694 ' O2B' ' NH2' ' A' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 p -81.16 148.73 29.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.897 0.38 . . . . 0.0 110.692 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -102.34 -110.72 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.78 2.22 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 5' ' ' VAL . 4.7 m -78.57 159.56 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.611 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.459 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 39.1 mttt -143.89 81.66 11.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.05 178.82 6.78 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.036 2.491 . . . . 0.0 112.554 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.757 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 17.6 t -49.09 175.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.324 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.757 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 25.2 m -127.63 -28.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.939 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -77.56 -11.42 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.19 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.664 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.3 m -133.6 -31.44 1.2 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.033 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER 46.31 8.99 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.246 0.546 . . . . 0.0 109.713 179.529 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.664 ' H ' ' C ' ' A' ' 11' ' ' CYS . 2.2 p -111.12 -3.65 10.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.636 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -131.44 153.27 81.55 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.105 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 35.5 Cg_endo -68.13 -73.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.836 2.358 . . . . 0.0 111.888 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' ASP . 10.6 mtp180 161.51 107.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.426 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.612 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 31.1 m-20 -25.44 134.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.654 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 p-90 -140.29 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.557 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 26' ' ' ARG . 4.3 ttp85 -141.02 161.28 38.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.669 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.75 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.104 179.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.0 ttmt -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' LYS . 5.1 m120 35.08 -108.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.07 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -118.87 6.71 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.042 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -109.44 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.391 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 9.9 mp -109.17 133.28 53.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -107.06 121.38 44.37 Favored 'General case' 0 C--N 1.409 3.191 0 O-C-N 127.694 3.121 . . . . 0.0 111.152 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.7 mt -109.13 160.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.395 2.566 0 O-C-N 119.101 -2.249 . . . . 0.0 109.178 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 53.8 m-85 -120.75 157.85 28.78 Favored 'General case' 1 C--N 1.206 -5.647 0 O-C-N 119.486 -2.009 . . . . 0.0 110.707 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.649 ' O ' ' SD ' ' A' ' 30' ' ' MET . 26.2 m-20 -77.66 -19.14 55.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.021 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.649 ' SD ' ' O ' ' A' ' 29' ' ' ASN . 3.3 mpp? -139.05 147.2 41.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.888 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 4.0 m -65.29 169.44 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.94 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.634 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 8.2 tttt -52.83 -46.25 67.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.6 m -65.15 -69.74 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -51.04 -28.19 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.461 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CD1' ' C6 ' ' A' 1318 ' ' ATP . 28.5 t80 -59.22 -49.22 78.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.634 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.4 m-80 -66.02 -41.45 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -66.81 -35.38 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.67 179.168 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.66 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -52.95 -31.19 39.11 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 mt -66.18 -30.34 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.4 mttt -78.95 -70.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.46 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -67.9 -52.61 34.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.506 -1.225 . . . . 0.0 110.717 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.72 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.82 -50.7 51.74 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 38' ' ' SER . 62.2 t0 50.94 -70.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.096 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.72 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.0 t70 -28.65 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.339 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.703 ' O ' ' N ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -162.94 -44.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 40.61 13.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.988 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.703 ' N ' ' O ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -73.15 159.87 32.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.735 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.73 137.07 3.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.701 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -140.25 159.66 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 110.863 -179.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.667 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.0 t -109.75 134.96 50.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 O-C-N 116.357 -3.964 . . . . 0.0 110.672 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -117.05 131.97 56.8 Favored 'General case' 1 C--N 1.198 -6.021 0 O-C-N 118.542 -2.599 . . . . 0.0 109.966 178.872 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 146.15 35.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD11 ' CE1' ' A' ' 24' ' ' HIS . 1.8 mm? -110.33 169.95 8.4 Favored 'General case' 1 C--N 1.163 -7.5 0 O-C-N 117.643 -3.161 . . . . 0.0 109.534 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 13.4 ptt? -79.2 27.14 0.25 Allowed 'General case' 0 C--N 1.274 -2.716 0 O-C-N 120.153 -1.592 . . . . 0.0 109.423 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 54' ' ' MET . 0.3 OUTLIER -178.14 -20.37 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.245 -179.209 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.09 163.01 31.82 Favored 'General case' 0 C--N 1.247 -3.849 1 O-C-N 114.862 -4.899 . . . . 0.0 112.078 -179.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -112.73 143.71 43.48 Favored 'General case' 0 C--N 1.25 -3.725 1 O-C-N 114.759 -4.963 . . . . 0.0 109.505 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -138.66 159.69 41.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.616 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.667 ' CG ' HG22 ' A' ' 50' ' ' VAL . 32.1 mtpt -136.27 148.61 48.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.259 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 51' ' ' ASP . 1.3 pt-20 -147.19 77.31 1.45 Allowed 'General case' 0 C--N 1.246 -3.906 0 O-C-N 121.353 -0.842 . . . . 0.0 110.738 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.556 ' O ' ' CB ' ' A' ' 62' ' ' SER . 67.3 m-85 -48.36 -36.17 13.97 Favored 'General case' 1 C--N 1.2 -5.933 0 O-C-N 119.44 -2.037 . . . . 0.0 110.199 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.1 m 86.19 82.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.555 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.627 ' OG ' ' N ' ' A' ' 64' ' ' THR . 0.3 OUTLIER -65.59 -91.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.627 ' N ' ' OG ' ' A' ' 63' ' ' SER . 1.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.677 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.749 " H3'" ' O1A' ' A' 1318 ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.02 94.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.676 0.274 . . . . 0.0 110.432 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER 41.97 -148.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.4 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 41.49 20.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.431 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.545 ' N ' ' O ' ' A' ' 3' ' ' PHE . 1.3 p -115.35 4.45 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.459 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 4.8 tttt -129.78 67.41 79.26 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.615 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.535 ' O ' ' O ' ' A' ' 8' ' ' CYS . 48.4 Cg_endo -73.69 -175.25 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.712 2.275 . . . . 0.0 111.591 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.749 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 8.7 t -42.06 170.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.511 -0.476 . . . . 0.0 109.964 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.749 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 20.5 m -125.83 -29.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.697 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -74.76 -12.45 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.184 179.437 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.662 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.4 m -135.13 -33.9 0.89 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.78 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.37 4.99 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.095 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.662 ' H ' ' C ' ' A' ' 11' ' ' CYS . 4.2 m -104.57 -4.54 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.38 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.783 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -132.28 148.28 69.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.543 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 21.2 Cg_endo -65.02 -76.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.477 2.118 . . . . 0.0 111.48 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.648 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 4.4 mtp180 161.69 112.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.238 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.604 ' OD1' ' N ' ' A' ' 18' ' ' TRP . 52.1 t0 -32.74 143.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.073 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.604 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 17.8 p90 -140.09 158.62 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.067 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.668 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 4.1 ttp85 -140.87 162.95 34.25 Favored 'General case' 1 C--O 1.09 -7.339 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.178 -179.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.523 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 52.8 t -108.5 119.91 58.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 O-C-N 123.856 0.722 . . . . 0.0 110.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -109.01 93.78 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.644 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 6.1 t30 9.5 94.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.644 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 2.2 tpt180 95.57 -40.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.443 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.541 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 3.7 m-70 -109.48 159.2 17.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 6.9 mp -109.37 134.95 51.19 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.72 ' NH1' ' CD2' ' A' ' 49' ' ' HIS . 10.2 ttm-85 -110.71 123.2 49.57 Favored 'General case' 1 C--O 1.081 -7.806 0 CA-C-O 125.156 2.408 . . . . 0.0 111.519 -178.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.3 mp -110.03 154.5 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 119.603 -1.936 . . . . 0.0 108.79 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.668 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 33.3 m-85 -109.83 160.77 16.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.802 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.34 -6.52 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.602 ' SD ' ' O ' ' A' ' 46' ' ' TYR . 3.5 mpp? -147.9 142.11 26.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.783 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 3.9 m -58.86 172.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.056 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.674 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttt -60.22 -40.64 90.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.732 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -63.99 -68.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.043 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.729 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.2 p -54.55 -28.27 44.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.366 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' O ' ' OG ' ' A' ' 38' ' ' SER . 12.6 t80 -60.43 -47.23 86.99 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.674 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -65.43 -42.2 92.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.47 -0.786 . . . . 0.0 108.944 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -33.82 76.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.532 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.647 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.8 p -59.67 -29.06 67.8 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.001 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 mm -65.1 -29.88 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -70.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.123 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -68.99 -51.98 33.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.063 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.682 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.57 -45.96 87.08 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 38' ' ' SER . 59.2 t0 59.79 -55.16 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.682 ' N ' ' O ' ' A' ' 42' ' ' GLY . 32.9 t70 -178.0 42.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.654 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.443 ' C ' ' H ' ' A' ' 47' ' ' HIS . 5.0 m -124.19 -61.03 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.739 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.602 ' O ' ' SD ' ' A' ' 30' ' ' MET . 5.1 m-85 -77.91 29.73 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.583 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' A' ' 45' ' ' THR . 3.8 m170 -92.28 105.16 17.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.12 154.44 25.53 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.72 ' CD2' ' NH1' ' A' ' 26' ' ' ARG . 14.9 p-80 -140.27 155.61 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.19 124.28 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.176 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 6.4 m-20 -112.16 133.9 54.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.394 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -109.49 137.91 46.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.788 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.578 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -107.89 160.48 15.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.076 -179.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' MET . 2.3 ptt? -71.03 32.31 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.776 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -177.34 -31.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.425 -179.293 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.573 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 6.9 m -140.01 160.47 39.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.727 0.299 . . . . 0.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -110.33 145.66 37.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.86 156.07 35.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -140.55 138.98 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 4.0 tt0 -140.57 77.01 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.827 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.683 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 1.9 t80 -139.18 65.12 1.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.495 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 1.2 p 80.78 -16.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.37 174.21 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.717 " H3'" ' O1A' ' A' 1318 ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -141.68 127.04 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.489 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -45.34 94.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.584 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -156.55 -66.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 m -138.36 121.65 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' PRO . 13.0 ttmm -131.35 61.35 58.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.237 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.554 ' O ' ' O ' ' A' ' 8' ' ' CYS . 86.2 Cg_exo -38.32 164.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 123.166 2.577 . . . . 0.0 112.232 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.773 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 6.6 t -41.7 171.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.181 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.773 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 19.1 t -127.46 -33.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.771 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -13.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.352 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.807 ' O ' HG13 ' A' ' 13' ' ' VAL . 3.3 m -130.86 -34.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.28 3.05 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.796 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.807 HG13 ' O ' ' A' ' 11' ' ' CYS . 33.7 m -105.81 -2.09 9.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.661 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -134.53 157.72 76.72 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.656 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 55.0 Cg_endo -71.58 -72.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.715 2.277 . . . . 0.0 111.757 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' O ' ' C ' ' A' ' 17' ' ' ASP . 12.0 mtt180 160.85 111.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.229 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.559 ' C ' ' O ' ' A' ' 16' ' ' ARG . 18.5 t70 -25.9 136.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.985 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 15.2 p90 -140.26 157.91 44.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.212 0.53 . . . . 0.0 111.217 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 1.5 ttp85 -141.13 160.74 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.91 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.488 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 7.3 p -108.56 127.99 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.003 0.43 . . . . 0.0 110.462 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -133.97 101.7 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 61.76 -132.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -0.93 55.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.653 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 2.7 m170 -112.73 156.56 22.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.437 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 2.8 mt -112.51 141.42 46.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.548 ' CZ ' ' O2A' ' A' 1318 ' ' ATP . 4.3 ttt180 -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.441 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -109.75 156.38 10.6 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.655 0 O-C-N 116.817 -3.677 . . . . 0.0 109.163 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CE1' ' C8 ' ' A' 1318 ' ' ATP . 35.2 m-85 -114.63 160.62 19.1 Favored 'General case' 1 C--N 1.214 -5.287 0 O-C-N 118.278 -2.764 . . . . 0.0 110.783 -179.211 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.605 HD22 ' C ' ' A' ' 48' ' ' GLY . 29.6 m-80 -76.54 -12.4 60.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.045 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.444 ' CG ' ' C ' ' A' ' 29' ' ' ASN . 4.1 mtm -151.97 154.12 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.126 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.752 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 7.6 m -66.0 176.0 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.192 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.619 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 4.2 tttm -64.6 -40.27 95.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 110.149 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -67.84 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.356 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.752 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 4.6 p -54.06 -28.29 37.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.298 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -60.53 -51.41 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.593 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.9 m-80 -66.25 -40.42 90.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -65.73 -36.67 84.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.862 179.228 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 34' ' ' CYS . 59.7 p -55.68 -29.96 60.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 39' ' ' ILE . 13.9 mm -65.79 -30.97 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -78.84 -69.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.179 178.232 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 m -68.03 -52.35 36.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.05 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.7 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.4 -48.18 71.56 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.2 t70 56.16 -65.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.869 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.7 ' N ' ' O ' ' A' ' 42' ' ' GLY . 76.3 m-20 -38.6 -72.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.673 ' O ' ' N ' ' A' ' 47' ' ' HIS . 7.1 t -176.4 -41.13 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.904 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.477 ' N ' HG23 ' A' ' 45' ' ' THR . 5.9 m-85 41.91 13.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.175 0.512 . . . . 0.0 109.688 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.673 ' N ' ' O ' ' A' ' 45' ' ' THR . 40.2 m170 -62.18 169.2 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.605 ' C ' HD22 ' A' ' 29' ' ' ASN . . . 135.73 137.65 3.73 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.671 ' CE1' ' CD ' ' A' ' 60' ' ' GLU . 41.8 p-80 -141.46 159.5 42.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.278 0.561 . . . . 0.0 111.205 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.498 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.4 t -116.98 148.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.646 0 O-C-N 116.369 -3.957 . . . . 0.0 110.396 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 1.7 m-20 -127.31 142.3 51.49 Favored 'General case' 1 C--N 1.212 -5.382 0 O-C-N 117.993 -2.942 . . . . 0.0 110.693 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -111.87 138.77 48.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.767 HD23 ' H ' ' A' ' 54' ' ' MET . 0.4 OUTLIER -112.08 155.76 23.34 Favored 'General case' 1 C--N 1.162 -7.562 0 O-C-N 118.744 -2.473 . . . . 0.0 110.159 -179.665 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.767 ' H ' HD23 ' A' ' 53' ' ' LEU . 5.7 ptt? -53.59 -6.76 0.08 Allowed 'General case' 0 C--N 1.255 -3.519 0 O-C-N 120.387 -1.446 . . . . 0.0 111.043 -178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.0 OUTLIER -166.76 5.25 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.687 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.583 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -137.57 163.13 31.94 Favored 'General case' 0 C--N 1.254 -3.565 1 O-C-N 115.213 -4.679 . . . . 0.0 111.264 179.542 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.83 130.53 47.06 Favored 'General case' 1 C--N 1.244 -4.01 1 O-C-N 115.486 -4.509 . . . . 0.0 110.156 179.262 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.06 153.69 37.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.498 ' CG ' HG22 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -140.03 141.75 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.482 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.671 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 1.2 pp20? -134.38 77.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.403 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.684 ' O ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER 170.41 -21.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.459 179.345 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -113.4 -14.55 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -166.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.529 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.581 ' C8 ' ' CE1' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 3' ' ' PHE . 1.7 m -82.66 152.45 25.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.527 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 2' ' ' SER . 16.8 m-85 -48.36 179.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.47 ' HG2' HH11 ' A' ' 4' ' ' ARG . 22.4 mtp85 59.78 88.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.508 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -109.46 89.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 7' ' ' PRO . 37.6 tttp -127.03 86.71 58.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' LYS . 35.6 Cg_exo -57.03 -152.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.804 2.336 . . . . 0.0 111.795 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.789 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -55.9 174.3 0.12 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.093 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.789 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 55.6 t -111.22 -26.77 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.409 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.501 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -90.12 -6.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.615 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.968 ' O ' HG13 ' A' ' 13' ' ' VAL . 3.3 m -139.45 -30.8 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.059 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp 50.25 5.1 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.26 0.552 . . . . 0.0 109.811 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.968 HG13 ' O ' ' A' ' 11' ' ' CYS . 19.1 m -105.33 -0.79 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.738 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.855 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -139.7 155.16 71.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' C ' ' CG ' ' A' ' 16' ' ' ARG . 60.2 Cg_endo -76.11 -72.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.86 2.373 . . . . 0.0 112.556 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CG ' ' C ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 174.18 106.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.451 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' H ' ' HA ' ' A' ' 31' ' ' CYS . 7.6 t70 -34.82 143.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -140.64 155.44 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.652 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -141.42 160.51 39.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.476 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 79.9 t -108.87 118.67 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.08 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -125.51 100.66 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.762 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 59.68 -134.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.19 -1.48 40.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.786 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -115.7 160.25 20.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.114 0.483 . . . . 0.0 111.313 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 25' ' ' LEU . 8.3 mp -109.01 161.14 15.44 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 5.4 ttt180 -133.21 119.44 19.86 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.123 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.25 146.21 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.605 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.652 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 m-30 -109.3 147.82 32.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.548 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -70.82 -21.03 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.466 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.0 mtm -131.5 147.19 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.855 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 2.3 m -65.01 169.06 5.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -53.24 -41.12 65.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.017 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -64.1 -65.94 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.779 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.1 p -60.12 -27.26 66.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.655 ' CE1' ' N7 ' ' A' 1318 ' ' ATP . 4.8 t80 -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.406 ' H ' HD22 ' A' ' 36' ' ' ASN . 2.3 m-80 -66.15 -42.34 89.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.1 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -31.49 72.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.832 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.693 ' N ' ' O ' ' A' ' 34' ' ' CYS . 27.3 p -60.19 -29.81 68.94 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.404 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.3 mt -65.99 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -78.55 -70.48 0.49 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.295 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.6 m -68.27 -52.28 35.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.706 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.33 -46.15 87.81 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 38' ' ' SER . 4.2 t0 59.82 -57.79 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.066 0.46 . . . . 0.0 110.391 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.6 p-10 -175.06 43.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.15 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.464 ' C ' ' H ' ' A' ' 47' ' ' HIS . 36.1 p -119.64 -73.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.046 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -71.75 17.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 45' ' ' THR . 19.8 p-80 -69.46 162.57 27.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.42 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 125.79 142.63 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.785 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 3.4 p-80 -133.65 159.25 41.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.82 148.48 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.468 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -133.65 139.09 46.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.477 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 6.7 m95 -112.88 143.32 44.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.964 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 55' ' ' TYR . 4.1 mt -109.7 77.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.5 ptt? 37.69 9.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.104 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.741 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER 178.16 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.346 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.712 ' OG1' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -109.33 160.07 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.941 0.401 . . . . 0.0 110.903 -179.549 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.559 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -111.2 136.74 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -126.6 160.46 30.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -136.49 139.48 42.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 1.7 tt0 -141.13 79.35 1.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.805 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.412 ' HB3' ' H ' ' A' ' 62' ' ' SER . 0.6 OUTLIER -64.96 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.222 -179.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.412 ' H ' ' HB3' ' A' ' 61' ' ' PHE . 91.1 p -90.54 154.11 19.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.44 . . . . 0.0 111.025 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.02 76.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.19 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.663 -179.809 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.655 ' N7 ' ' CE1' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.478 ' O ' ' OG ' ' A' ' 2' ' ' SER . 4.5 t -175.46 28.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.918 0.39 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 14.4 m-85 -141.56 30.95 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.58 -43.72 2.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.48 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 5' ' ' VAL . 28.7 m -103.96 127.76 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.745 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -93.89 -34.22 0.31 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.432 179.691 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.745 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 24.2 Cg_exo -60.21 175.7 0.98 Allowed 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.593 2.195 . . . . 0.0 111.092 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' C ' ' O ' ' A' ' 7' ' ' PRO . 2.7 t -37.04 146.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.613 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.6 p -150.14 -18.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.601 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.46 ' H ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -82.5 -4.83 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.01 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.69 ' O ' ' N ' ' A' ' 13' ' ' VAL . 1.7 m -134.53 -38.88 0.82 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.814 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' HG3' ' C ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 42.79 12.48 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.531 0.681 . . . . 0.0 109.306 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.69 ' N ' ' O ' ' A' ' 11' ' ' CYS . 2.3 p -111.84 -9.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.371 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.773 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -112.74 137.98 21.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.716 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.89 27.78 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.529 2.153 . . . . 0.0 111.614 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 14' ' ' ALA . 6.6 mtt180 64.16 103.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.078 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 16' ' ' ARG . 3.7 m-20 -29.62 135.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.278 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -140.23 160.75 39.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.286 0.565 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.662 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 1.6 ttp85 -139.58 159.75 41.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.153 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.45 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -108.9 113.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.971 0.415 . . . . 0.0 110.103 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.774 ' HZ1' ' NH2' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -109.18 118.99 38.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.016 -179.22 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 42.63 -90.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.241 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 8.0 mtt-85 -123.78 1.04 8.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.651 0.262 . . . . 0.0 111.424 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.469 ' CG ' ' HG ' ' A' ' 53' ' ' LEU . 2.1 m170 -109.72 159.07 17.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 6.5 mp -109.12 129.79 55.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.774 ' NH2' ' HZ1' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -109.15 128.74 55.27 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.326 -178.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -109.33 160.36 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.138 179.019 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.662 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 48.3 m-85 -123.03 121.0 35.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.226 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.68 HD22 ' C ' ' A' ' 48' ' ' GLY . 5.5 m-80 -48.96 -8.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.463 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.629 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 5.1 mpp? -155.54 138.83 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.691 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.776 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 10.3 m -63.79 172.28 2.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.206 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -54.21 -42.97 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.649 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -65.75 -70.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.747 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.776 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 5.4 p -55.32 -27.0 44.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.616 ' HB2' HN62 ' A' 1318 ' ' ATP . 24.4 t80 -56.98 -49.77 74.71 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.62 -42.58 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.156 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -67.07 -35.2 79.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.555 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 34' ' ' CYS . 90.7 p -56.93 -29.23 62.94 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 6.6 mt -65.43 -32.4 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -79.28 -68.43 0.66 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.227 -1.351 . . . . 0.0 109.465 178.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -67.63 -51.8 45.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.017 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -63.67 -49.63 67.51 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.566 ' O ' ' C ' ' A' ' 44' ' ' ASP . 33.4 t70 51.78 -66.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.401 -0.399 . . . . 0.0 111.437 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 37.2 t0 -20.99 -72.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.913 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.658 ' O ' ' N ' ' A' ' 47' ' ' HIS . 66.6 p -146.9 -8.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.104 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 45' ' ' THR . 19.2 p90 33.66 26.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.63 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.693 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -122.49 151.43 41.33 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.68 ' C ' HD22 ' A' ' 29' ' ' ASN . . . 149.61 125.24 1.35 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.993 ' CD2' " H3'" ' A' 1318 ' ' ATP . 0.0 OUTLIER -141.37 160.49 40.01 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.183 0.516 . . . . 0.0 111.242 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.81 135.42 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 4.8 m-20 -124.01 127.86 48.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.018 0.437 . . . . 0.0 110.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -109.83 130.08 55.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.553 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 53' ' ' LEU . 5.5 mp -107.97 160.65 15.61 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.224 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.8 ptm -71.92 22.94 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.595 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -166.89 -25.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.78 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.54 ' H ' ' HB2' ' A' ' 53' ' ' LEU . 5.6 p -137.09 160.83 37.8 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.368 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 23.9 p30 -115.87 131.95 56.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.174 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -116.23 142.34 46.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -140.57 136.23 32.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.603 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 4.2 tt0 -138.87 78.05 1.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.263 0.554 . . . . 0.0 109.635 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.603 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 7.5 t80 90.56 58.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.047 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -17.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.534 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.645 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 6.1 t -41.56 116.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.446 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.405 ' C ' ' NZ ' ' A' ' 6' ' ' LYS . 71.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.993 " H3'" ' CD2' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -78.68 -71.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.508 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -162.11 163.77 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.419 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.629 ' C ' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 71.62 -150.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.389 -179.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.501 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 2.6 t 64.58 -15.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.44 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.629 ' H ' ' C ' ' A' ' 4' ' ' ARG . 44.4 mtmt 34.34 67.82 1.21 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.571 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 8' ' ' CYS . 26.0 Cg_endo -64.75 165.73 20.1 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.503 2.135 . . . . 0.0 111.845 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 14.1 t -39.34 169.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.488 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.717 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 32.8 m -134.04 -24.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -10.33 13.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.687 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.4 m -137.4 -33.45 0.74 Allowed 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.67 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mttp 47.31 6.54 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.323 0.582 . . . . 0.0 110.125 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.687 ' H ' ' C ' ' A' ' 11' ' ' CYS . 9.6 m -105.87 -2.35 9.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.062 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.783 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -134.39 158.08 76.0 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 59.9 Cg_endo -76.21 -72.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.764 2.309 . . . . 0.0 112.222 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.77 ' NE ' ' O ' ' A' ' 28' ' ' TYR . 8.0 mtp180 160.34 109.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.194 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 16' ' ' ARG . 6.9 t70 -32.17 143.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 p90 -140.68 159.71 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.187 0.518 . . . . 0.0 111.501 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -142.83 158.91 43.16 Favored 'General case' 1 C--N 1.429 4.064 0 O-C-N 116.791 -3.693 . . . . 0.0 110.164 179.907 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.522 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -105.95 124.25 61.02 Favored 'Isoleucine or valine' 1 C--N 1.139 -8.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.124 -179.963 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.677 ' O ' ' N ' ' A' ' 24' ' ' HIS . 18.6 ttmt -136.2 139.97 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.543 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.668 ' C ' ' H ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER 22.74 83.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.175 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 46.4 2.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.412 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.677 ' N ' ' O ' ' A' ' 21' ' ' LYS . 2.9 m-70 -113.25 157.83 21.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.947 0.404 . . . . 0.0 110.805 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 4.0 mm? -109.09 117.92 35.43 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.686 ' CZ ' ' O3B' ' A' 1318 ' ' ATP . 2.5 ttp85 -95.25 122.52 38.03 Favored 'General case' 1 C--N 1.167 -7.329 0 O-C-N 117.673 -3.142 . . . . 0.0 110.868 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.4 mp -108.27 165.06 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 3 O-C-N 110.476 -7.64 . . . . 0.0 109.444 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.77 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 54.9 m-85 -119.89 159.88 23.78 Favored 'General case' 1 C--N 1.43 4.082 0 O-C-N 120.524 -1.36 . . . . 0.0 110.772 -178.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.419 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 11.4 m-20 -87.43 9.77 19.67 Favored 'General case' 1 C--N 1.221 -5.013 1 O-C-N 130.18 4.675 . . . . 0.0 110.959 -179.461 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtm -162.83 142.25 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.01 0.433 . . . . 0.0 110.696 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.783 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 3.3 m -64.22 -178.56 0.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.77 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.1 OUTLIER -65.19 -41.88 94.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.814 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 34' ' ' CYS . 1.3 m -65.27 -61.82 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.53 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 2.4 p -60.2 -28.73 68.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 2.3 t80 -59.87 -45.17 93.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.9 m-80 -66.37 -40.38 89.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.188 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.0 t30 -65.97 -36.49 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.501 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLY . 38.3 p -55.08 -30.31 59.4 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 6.4 mt -66.3 -28.92 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 37' ' ' ASN . 1.2 mmmp? -78.44 -68.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.223 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.4 m -67.91 -53.02 29.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.688 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.88 -50.87 50.41 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' SER . 50.4 t0 55.64 -65.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.881 0.372 . . . . 0.0 111.276 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.688 ' N ' ' O ' ' A' ' 42' ' ' GLY . 65.0 t0 -130.98 73.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.668 ' C ' ' H ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -135.25 -24.98 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.101 179.534 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.74 ' O ' " H1'" ' A' 1318 ' ' ATP . 25.9 m-85 52.54 -0.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.244 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.753 ' ND1' ' N3 ' ' A' 1318 ' ' ATP . 0.1 OUTLIER 29.95 -154.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.853 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' H ' ' HB2' ' A' ' 47' ' ' HIS . . . -136.56 174.13 21.7 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.258 -178.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.47 160.91 38.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.506 . . . . 0.0 110.058 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.2 t -114.06 130.81 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.585 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -113.37 127.79 56.25 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.472 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.544 ' CE2' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -109.69 136.24 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.864 179.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.581 ' C ' ' H ' ' A' ' 55' ' ' TYR . 4.3 mp -108.51 160.24 16.06 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.579 ' SD ' ' O ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -72.49 33.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.581 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -172.94 -32.83 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.33 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -140.68 162.39 35.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 111.14 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' OD2' ' CE2' ' A' ' 52' ' ' TRP . 24.1 t0 -109.07 145.3 35.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.122 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -126.71 157.25 39.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.799 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -140.28 138.82 35.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.594 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 0.6 OUTLIER -140.66 78.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.992 179.111 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -55.66 -46.74 77.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 63' ' ' SER . 73.2 m -135.37 -103.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.664 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 62' ' ' SER . 1.0 OUTLIER 76.2 89.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.531 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.633 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.753 ' N3 ' ' ND1' ' A' ' 47' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -158.12 132.12 7.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.794 0.33 . . . . 0.0 110.594 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -64.77 -65.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 5' ' ' VAL . 29.9 mtp180 -88.39 112.83 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.554 ' O ' ' O ' ' A' ' 4' ' ' ARG . 25.0 t -31.96 -98.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.657 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 8' ' ' CYS . 2.3 tttp -168.53 119.29 0.65 Allowed Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.751 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.589 ' O ' ' O ' ' A' ' 8' ' ' CYS . 89.2 Cg_exo -41.84 84.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.557 2.171 . . . . 0.0 112.13 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 3.6 t 47.89 171.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.774 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -135.04 -28.4 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.471 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -9.6 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.149 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.675 ' C ' ' H ' ' A' ' 13' ' ' VAL . 2.6 m -139.08 -35.25 0.56 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.873 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.02 6.31 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.269 0.557 . . . . 0.0 110.106 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.675 ' H ' ' C ' ' A' ' 11' ' ' CYS . 8.1 m -106.48 -1.57 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.421 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.599 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -128.5 154.51 79.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.0 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 36.5 Cg_endo -67.37 -76.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.925 2.417 . . . . 0.0 111.544 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER 164.49 104.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.228 179.588 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.642 ' OD2' ' N ' ' A' ' 32' ' ' LYS . 11.8 m-20 -32.03 133.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 p90 -140.95 158.64 43.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.659 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -140.94 161.96 36.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.107 -179.443 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.531 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 2.4 m -108.06 114.83 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.431 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.651 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 2.1 tppt? -118.29 107.57 14.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.632 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.484 ' N ' HD22 ' A' ' 22' ' ' ASN . 1.0 OUTLIER 56.51 -110.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.651 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -107.38 -1.37 21.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.706 -179.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.631 ' ND1' ' HG ' ' A' ' 53' ' ' LEU . 3.4 m-70 -109.21 156.87 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 110.99 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.659 ' NH2' ' PB ' ' A' 1318 ' ' ATP . 11.6 ttm-85 -108.72 123.36 48.88 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.011 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -109.23 153.98 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.438 179.383 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.659 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 38.4 m-85 -113.1 150.19 32.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.494 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.33 -12.35 60.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.534 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 65.1 mtm -145.47 143.23 29.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.774 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.1 m -64.11 171.82 2.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.709 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.642 ' N ' ' OD2' ' A' ' 17' ' ' ASP . 15.6 tttm -54.96 -47.04 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 m -61.88 -65.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.774 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 8.4 p -59.01 -28.24 66.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.758 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' O ' ' OG ' ' A' ' 38' ' ' SER . 8.5 t80 -58.4 -49.39 77.45 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -66.09 -43.23 87.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.377 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.4 -31.17 71.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.123 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 34' ' ' CYS . 79.8 p -64.76 -29.73 70.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.258 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 35' ' ' PHE . 2.7 mt -65.97 -34.09 67.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -66.84 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.115 -1.402 . . . . 0.0 109.652 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 m -67.82 -51.76 44.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.739 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.27 -52.95 35.96 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' C ' ' A' ' 44' ' ' ASP . 67.9 t0 52.25 -65.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.528 -0.336 . . . . 0.0 111.395 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 42' ' ' GLY . 13.0 t70 -2.01 -69.85 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.614 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 44' ' ' ASP . 7.0 p -159.29 -172.83 3.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.385 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.581 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -62.18 -13.73 30.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.208 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.581 ' ND1' ' O ' ' A' ' 46' ' ' TYR . 10.1 m80 89.87 -147.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.795 0.685 . . . . 0.0 111.226 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -151.88 158.16 27.63 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.04 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.713 ' CE1' " H3'" ' A' 1318 ' ' ATP . 11.3 p-80 -133.43 161.47 34.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.345 -0.428 . . . . 0.0 110.774 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.44 136.53 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -118.48 144.92 45.66 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.589 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.51 143.97 44.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.246 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.631 ' HG ' ' ND1' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -112.67 66.94 0.65 Allowed 'General case' 1 C--N 1.241 -4.114 2 O-C-N 112.447 -6.408 . . . . 0.0 110.873 -179.746 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.651 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER 33.72 38.12 0.02 OUTLIER 'General case' 1 C--N 1.201 -5.891 0 O-C-N 119.828 -1.795 . . . . 0.0 110.359 177.783 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.651 ' CD1' ' O ' ' A' ' 54' ' ' MET . 0.8 OUTLIER 155.02 -37.6 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 O-C-N 124.062 0.852 . . . . 0.0 111.181 -179.701 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -106.75 164.41 12.12 Favored 'General case' 0 C--N 1.272 -2.801 2 O-C-N 112.178 -6.577 . . . . 0.0 110.966 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -119.32 144.86 46.6 Favored 'General case' 1 C--N 1.146 -8.269 0 O-C-N 116.934 -3.604 . . . . 0.0 110.655 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.49 160.66 38.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -135.82 144.44 45.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -139.09 78.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.209 0.528 . . . . 0.0 110.372 179.54 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 2.8 t80 90.53 26.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.567 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.63 -16.85 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.38 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.74 167.45 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.586 -179.881 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.713 " H3'" ' CE1' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.567 ' C ' ' H ' ' A' ' 3' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.572 ' O ' ' OG ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -70.56 28.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.567 ' H ' ' C ' ' A' ' 1' ' ' GLY . 44.1 t80 -81.69 -55.19 4.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.661 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.15 94.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.769 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 6' ' ' LYS . 7.0 p -72.85 158.52 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.069 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.58 ' O ' ' O ' ' A' ' 7' ' ' PRO . 8.6 tttt -168.8 117.69 0.6 Allowed Pre-proline 0 C--N 1.328 -0.348 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.66 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.58 ' O ' ' O ' ' A' ' 6' ' ' LYS . 50.2 Cg_exo -47.72 -163.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.231 1.954 . . . . 0.0 112.102 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.861 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -52.61 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.473 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 8' ' ' CYS . 33.4 t 132.69 23.79 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.702 ' C ' ' H ' ' A' ' 12' ' ' LYS . 2.1 t 75.23 -20.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.945 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.632 ' C ' ' H ' ' A' ' 13' ' ' VAL . 1.2 m 52.27 7.89 0.07 Allowed 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.702 ' H ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 49.03 12.43 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.108 -178.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.632 ' H ' ' C ' ' A' ' 11' ' ' CYS . 1.6 p -116.75 -4.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.447 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -177.58 154.34 1.03 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.463 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 16' ' ' ARG . 91.4 Cg_endo -87.32 54.63 2.81 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.701 2.267 . . . . 0.0 111.847 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.58 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 32.63 90.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.17 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.692 ' OD2' ' CD2' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -16.59 135.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.044 -179.145 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -139.89 160.27 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.247 0.546 . . . . 0.0 111.371 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 3.4 ttp85 -140.81 161.72 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.153 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.48 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 2.5 p -107.55 130.07 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' NZ ' ' O3G' ' A' 1318 ' ' ATP . 9.8 ttmt -137.11 90.13 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.993 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.41 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 40.6 t-20 66.99 -130.12 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.75 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 27.7 mtm180 -87.36 -2.71 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.013 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 53' ' ' LEU . 7.5 m-70 -108.93 160.6 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.138 0.494 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.5 mp -108.14 161.28 15.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.81 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -138.31 123.72 19.47 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.497 -179.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.525 HG23 ' N ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -111.49 165.26 6.73 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.838 0 O-C-N 117.086 -3.508 . . . . 0.0 110.141 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.757 ' CE2' ' N7 ' ' A' 1318 ' ' ATP . 2.7 m-30 -115.03 121.1 42.07 Favored 'General case' 1 C--N 1.211 -5.437 0 O-C-N 121.468 -0.77 . . . . 0.0 109.013 179.537 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 8' ' ' CYS . 18.0 m-20 -38.91 -15.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.424 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.673 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -154.91 146.05 22.77 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.531 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 3.9 m -66.06 165.27 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.453 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.662 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -55.21 -38.69 68.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.229 179.22 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -67.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.534 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.624 ' O ' ' N ' ' A' ' 38' ' ' SER . 6.0 p -63.09 -27.91 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.695 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.675 ' HB2' HN62 ' A' 1318 ' ' ATP . 19.9 t80 -57.49 -47.3 82.28 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.7 m-80 -65.41 -42.05 92.96 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.784 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.83 74.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.771 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 34' ' ' CYS . 12.6 p -61.38 -29.76 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.356 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.5 mm -66.45 -29.71 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -69.94 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.38 178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 m -68.58 -52.69 28.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.978 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.71 -50.99 50.72 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' A' ' 38' ' ' SER . 12.1 t70 57.35 -58.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.754 0.311 . . . . 0.0 110.98 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 46.0 t0 -142.24 65.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.609 ' C ' ' H ' ' A' ' 47' ' ' HIS . 5.5 t -175.99 170.69 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.815 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.463 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 8.5 m-85 63.91 -18.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.009 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.609 ' H ' ' C ' ' A' ' 45' ' ' THR . 41.2 m80 -55.8 91.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.232 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.12 170.99 42.3 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.81 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -140.76 159.07 42.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.408 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.496 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -119.28 140.7 42.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 116.466 -3.896 . . . . 0.0 110.164 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -125.38 140.83 52.46 Favored 'General case' 1 C--N 1.206 -5.635 0 O-C-N 119.061 -2.274 . . . . 0.0 111.27 -179.872 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 144.48 37.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.331 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 24' ' ' HIS . 1.1 tp -112.92 169.52 8.86 Favored 'General case' 1 C--N 1.169 -7.255 0 O-C-N 118.738 -2.476 . . . . 0.0 110.783 -178.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -60.95 -1.07 0.37 Allowed 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.971 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 1.7 p90 -176.23 0.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.195 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.494 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -135.16 160.04 39.64 Favored 'General case' 0 C--N 1.277 -2.546 1 O-C-N 115.393 -4.567 . . . . 0.0 110.895 179.386 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.25 147.36 35.19 Favored 'General case' 0 C--N 1.249 -3.767 1 O-C-N 115.122 -4.736 . . . . 0.0 110.079 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -130.5 154.41 47.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.923 0.392 . . . . 0.0 110.819 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 24.7 mttp -140.45 139.18 35.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.855 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 14.6 tt0 -140.92 78.85 1.67 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.509 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -96.97 -63.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.524 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.1 p -101.49 139.39 37.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -169.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.48 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.757 ' N7 ' ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.673 ' O ' ' CD1' ' A' ' 3' ' ' PHE . 67.4 m -88.53 147.79 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 110.594 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.673 ' CD1' ' O ' ' A' ' 2' ' ' SER . 30.3 m-85 -146.57 27.98 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.683 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' CG ' ' H ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER 59.62 -148.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.445 ' H ' ' CG ' ' A' ' 4' ' ' ARG . 13.3 m -133.24 -161.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.428 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.54 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 8.0 mttt -109.61 -53.38 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.594 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.54 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 31.5 Cg_exo -54.9 -169.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.33 2.02 . . . . 0.0 111.598 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' A' ' 30' ' ' MET . 4.4 m -90.35 -173.78 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.236 0.541 . . . . 0.0 110.347 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.795 ' C ' HG23 ' A' ' 10' ' ' VAL . 8.5 p -152.8 39.52 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.795 HG23 ' C ' ' A' ' 9' ' ' VAL . 1.8 t 78.17 -17.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 113.953 -1.476 . . . . 0.0 108.212 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.643 ' HB3' HG12 ' A' ' 13' ' ' VAL . 23.6 m 47.55 13.99 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.662 ' N ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 43.6 14.51 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 113.441 -1.709 . . . . 0.0 109.366 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.643 HG12 ' HB3' ' A' ' 11' ' ' CYS . 6.0 p -129.73 5.79 2.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 113.826 -1.534 . . . . 0.0 108.965 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 31' ' ' CYS . . . -172.25 153.95 3.15 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.181 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.669 ' O ' ' N ' ' A' ' 17' ' ' ASP . 47.8 Cg_endo -92.2 84.62 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.954 2.436 . . . . 0.0 112.93 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.616 ' C ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -17.38 82.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.132 179.772 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.669 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -16.61 119.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.716 -179.38 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.531 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -140.99 157.94 44.64 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.471 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 4.7 ttp85 -141.64 161.81 37.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.538 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -106.74 125.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.141 0.496 . . . . 0.0 109.935 -179.701 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 24' ' ' HIS . 5.5 ttmt -128.35 161.2 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.128 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.69 ' C ' ' H ' ' A' ' 24' ' ' HIS . 2.0 m120 -10.47 91.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.449 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 7.6 mtm105 46.64 1.35 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.452 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.699 ' N ' ' O ' ' A' ' 21' ' ' LYS . 6.6 m170 -109.92 162.01 14.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.277 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 3.4 mp -106.8 160.1 15.74 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.687 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 19.4 ttt85 -136.44 117.03 13.87 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.03 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.57 156.41 11.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.758 ' CE2' ' N7 ' ' A' 1318 ' ' ATP . 4.9 m-30 -108.44 129.93 55.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.486 ' C ' ' CG ' ' A' ' 30' ' ' MET . 1.3 m-80 -42.74 -17.1 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.566 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -157.43 149.74 22.74 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.356 -0.537 . . . . 0.0 111.267 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HA ' ' H ' ' A' ' 17' ' ' ASP . 3.6 m -66.46 172.74 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.449 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 7.5 ttpt -58.07 -45.41 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.703 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.97 -67.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -52.8 -27.85 19.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.253 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.579 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -61.62 -45.12 95.41 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.4 m-80 -64.05 -39.65 94.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.737 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -66.26 -30.39 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.446 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 43' ' ' ASP . 4.9 p -65.03 -29.59 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.021 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.8 mt -66.37 -29.78 47.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -70.75 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.359 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -68.78 -52.68 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.854 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.42 -48.5 68.23 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 38' ' ' SER . 5.4 t70 58.18 -60.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 0.0 110.501 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.5 t0 -158.45 56.8 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.307 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.889 ' O ' HG23 ' A' ' 45' ' ' THR . 12.8 t -174.53 77.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.586 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' CD2' ' O ' ' A' ' 45' ' ' THR . 0.5 OUTLIER 168.85 -16.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.129 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.597 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -62.46 105.01 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.484 179.752 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.8 162.16 34.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.687 ' CD2' ' NH2' ' A' ' 26' ' ' ARG . 1.7 p-80 -139.96 160.28 40.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 0.0 110.742 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.484 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 t -117.56 142.8 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.009 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -126.97 135.31 50.7 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.023 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.533 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -109.78 139.59 44.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.83 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.9 mp -112.88 162.24 16.05 Favored 'General case' 1 C--N 1.175 -7.017 0 O-C-N 117.525 -3.234 . . . . 0.0 110.416 -179.706 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -10.29 0.12 Allowed 'General case' 0 C--N 1.247 -3.881 0 O-C-N 120.887 -1.133 . . . . 0.0 110.701 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.558 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -169.97 11.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.116 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.65 33.85 Favored 'General case' 0 C--N 1.266 -3.034 1 O-C-N 114.409 -5.182 . . . . 0.0 111.02 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.556 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -133.12 129.11 37.48 Favored 'General case' 1 C--N 1.221 -5.021 1 O-C-N 115.536 -4.477 . . . . 0.0 110.214 179.443 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.55 160.29 32.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.33 144.08 49.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.386 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.574 ' CD ' ' N ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -140.51 79.43 1.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.45 179.655 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -99.61 161.21 13.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.412 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -61.99 96.46 0.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.816 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.12 -11.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.354 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.536 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.758 ' N7 ' ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -113.21 101.45 9.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.709 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.479 ' O ' ' O ' ' A' ' 4' ' ' ARG . 59.0 m-85 -81.88 17.6 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.599 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER 52.61 165.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.515 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 t -92.25 146.8 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -114.65 149.09 41.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.33 -27.19 71.45 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.631 2.221 . . . . 0.0 111.638 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.816 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER 171.38 174.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.909 179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.816 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 3.1 p 173.37 60.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.787 HG23 ' C ' ' A' ' 9' ' ' VAL . 2.4 t 85.96 -6.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -176.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.685 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 66.65 32.98 6.7 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.803 177.377 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' CG ' ' HB ' ' A' ' 10' ' ' VAL . 11.7 mtmt -76.1 -7.79 55.54 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -147.36 13.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.025 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . . . -113.32 83.83 6.97 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.431 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 16' ' ' ARG . 32.7 Cg_endo -72.43 13.13 0.58 Allowed 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.198 1.932 . . . . 0.0 110.519 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' CE3' ' A' ' 18' ' ' TRP . 1.5 tmm_? -26.55 -69.9 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.558 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -71.79 105.65 3.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.364 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.595 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 2.4 p90 -141.72 161.53 37.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.508 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HG3' ' H ' ' A' ' 20' ' ' VAL . 5.8 ttp85 -140.69 162.2 35.95 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 116.403 -3.936 . . . . 0.0 110.151 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' CD2' ' A' ' 25' ' ' LEU . 43.4 t -110.11 115.6 50.14 Favored 'Isoleucine or valine' 1 C--N 1.216 -5.217 0 O-C-N 118.191 -2.818 . . . . 0.0 110.788 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' NZ ' ' O3G' ' A' 1318 ' ' ATP . 20.1 ttmt -119.64 119.07 32.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 47.82 -134.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.287 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 3.24 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 21' ' ' LYS . 6.5 m170 -109.7 156.04 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.552 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.535 ' CD2' HG22 ' A' ' 20' ' ' VAL . 12.0 mt -109.28 139.02 44.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.784 ' NH1' ' CG ' ' A' ' 49' ' ' HIS . 4.6 ttm-85 -109.24 125.28 52.1 Favored 'General case' 0 C--N 1.248 -3.82 0 O-C-N 116.72 -3.738 . . . . 0.0 110.854 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 2.4 mt -113.82 158.62 14.1 Favored 'Isoleucine or valine' 1 C--N 1.188 -6.447 0 O-C-N 120.21 -1.556 . . . . 0.0 109.527 178.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.531 ' CD1' ' C5 ' ' A' 1318 ' ' ATP . 41.0 m-85 -115.71 157.88 23.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.389 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.609 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 5.7 m-80 -81.24 1.71 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.423 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.583 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 4.7 mpp? -153.93 132.33 12.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.381 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.611 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.9 m -53.29 164.33 0.47 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.544 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -54.14 -43.45 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.73 179.765 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -67.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.546 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -58.9 -27.46 65.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.744 ' CG ' ' N6 ' ' A' 1318 ' ' ATP . 3.2 t80 -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.4 m-80 -65.4 -40.11 93.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.46 -29.67 69.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.33 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.671 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -65.04 -28.89 69.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.798 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 39' ' ' ILE . 16.1 mt -65.21 -28.98 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -71.77 0.4 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.574 -1.194 . . . . 0.0 108.879 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m -70.19 -51.89 27.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.212 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.671 ' N ' ' O ' ' A' ' 38' ' ' SER . . . -65.74 -40.12 95.58 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.585 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.666 ' N ' ' O ' ' A' ' 38' ' ' SER . 18.7 t70 61.03 -56.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.813 0.339 . . . . 0.0 110.548 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.663 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER 176.98 39.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.54 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 47' ' ' HIS . 32.5 p -102.77 -71.84 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.819 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.93 27.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.711 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.639 ' CE1' ' O ' ' A' ' 44' ' ' ASP . 40.9 p-80 -74.24 109.57 7.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.587 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.609 ' O ' ' ND2' ' A' ' 29' ' ' ASN . . . -173.1 154.15 19.89 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.784 ' CG ' ' NH1' ' A' ' 26' ' ' ARG . 9.4 p-80 -134.22 160.19 38.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.566 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.568 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.0 t -116.78 138.77 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.49 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.686 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -120.97 135.26 55.25 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.495 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.436 ' C ' HD12 ' A' ' 53' ' ' LEU . 7.5 m95 -109.64 140.56 43.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.691 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 53' ' ' LEU . 7.6 mp -110.75 168.08 9.75 Favored 'General case' 1 C--N 1.192 -6.262 0 O-C-N 118.015 -2.928 . . . . 0.0 110.547 -179.604 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -1.14 0.1 Allowed 'General case' 0 C--N 1.27 -2.849 0 O-C-N 121.495 -0.753 . . . . 0.0 111.237 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.681 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 1.2 p90 -177.03 5.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.251 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.35 162.35 33.82 Favored 'General case' 0 C--N 1.276 -2.621 1 O-C-N 115.391 -4.568 . . . . 0.0 111.074 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -114.01 139.37 49.32 Favored 'General case' 1 C--N 1.235 -4.406 0 O-C-N 116.449 -3.907 . . . . 0.0 110.316 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -131.22 153.08 49.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.739 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.568 ' HG3' HG22 ' A' ' 50' ' ' VAL . 9.0 mtmt -141.02 145.02 35.36 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.23 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.49 ' HG2' ' CE1' ' A' ' 49' ' ' HIS . 2.2 tt0 -140.75 79.0 1.68 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.108 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 19.9 t80 -99.99 130.69 46.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.555 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.63 ' O ' ' NE2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -115.42 152.44 32.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.725 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.616 ' OG ' ' N ' ' A' ' 64' ' ' THR . 0.9 OUTLIER -137.12 -151.39 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.616 ' N ' ' OG ' ' A' ' 63' ' ' SER . 10.1 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.579 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.744 ' N6 ' ' CG ' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.13 -171.92 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 112.5 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.528 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -106.39 -40.89 5.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' LYS . 2.3 m -124.57 147.98 28.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.437 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' VAL . 1.2 tppm? -37.64 118.48 0.88 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.462 ' O ' ' O ' ' A' ' 8' ' ' CYS . 36.5 Cg_endo -69.93 163.31 38.9 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.939 1.76 . . . . 0.0 111.897 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.955 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER 52.2 171.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.839 -179.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 8' ' ' CYS . 8.6 t -174.5 60.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.795 HG23 ' C ' ' A' ' 9' ' ' VAL . 2.1 t 83.12 -4.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 -176.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.706 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 65.39 11.28 7.22 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 112.892 -1.958 . . . . 0.0 111.821 177.416 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HD2' HG11 ' A' ' 10' ' ' VAL . 43.2 mtpt -71.01 -2.88 16.88 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.879 0.847 . . . . 0.0 108.754 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -142.65 8.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 114.043 -1.435 . . . . 0.0 108.933 179.227 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.643 ' C ' ' H ' ' A' ' 16' ' ' ARG . . . -128.96 63.2 65.88 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.989 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.629 ' O ' ' N ' ' A' ' 17' ' ' ASP . 7.3 Cg_endo -54.32 3.3 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.559 2.173 . . . . 0.0 111.618 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.643 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -11.99 -53.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.792 -179.725 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.629 ' N ' ' O ' ' A' ' 15' ' ' PRO . 25.8 t0 -83.29 108.73 16.7 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.797 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -140.17 160.26 40.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.156 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.604 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 5.8 ttp85 -141.05 161.62 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.653 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.13 127.5 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.771 ' HZ2' HH22 ' A' ' 26' ' ' ARG . 6.7 ttmt -129.81 99.76 5.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 61.65 -119.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -95.02 -5.44 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.298 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.61 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.0 m170 -109.32 159.45 16.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 0.0 110.928 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD12 ' C ' ' A' ' 24' ' ' HIS . 9.7 mp -109.32 138.5 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.771 HH22 ' HZ2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -108.92 124.75 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.888 -179.338 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -111.24 158.56 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.338 179.096 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.604 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 31.9 m-85 -117.48 159.73 22.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.607 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.7 HD22 ' C ' ' A' ' 48' ' ' GLY . 10.0 m-80 -88.46 4.59 45.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.645 ' SD ' ' H2 ' ' A' 1318 ' ' ATP . 3.4 mpp? -150.59 119.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.136 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 m -43.07 169.26 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.969 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 2.4 tmtp? -59.76 -41.1 90.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 110.27 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -65.65 -66.35 0.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.341 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.684 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.21 -27.75 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.816 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.685 ' CD1' ' N6 ' ' A' 1318 ' ' ATP . 4.3 t80 -54.57 -47.88 72.75 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 5.7 m-80 -65.87 -43.44 88.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.024 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -31.03 71.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.843 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.8 p -59.12 -29.36 67.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 13.8 mm -65.64 -29.36 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.4 -71.27 0.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.142 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -69.17 -52.97 22.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.262 -1.335 . . . . 0.0 111.063 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.692 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.27 -45.92 89.1 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.674 ' N ' ' O ' ' A' ' 38' ' ' SER . 6.1 t70 60.06 -56.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 0.0 110.6 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.692 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -175.4 41.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.577 ' C ' ' H ' ' A' ' 47' ' ' HIS . 8.3 m -115.51 -69.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.663 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.454 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 10.5 m-85 -66.11 14.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.577 ' H ' ' C ' ' A' ' 45' ' ' THR . 1.3 m80 -66.79 108.53 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.7 ' C ' HD22 ' A' ' 29' ' ' ASN . . . -172.27 151.66 15.12 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.708 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -140.34 160.16 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.385 179.747 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.532 ' CG1' ' HE1' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -119.64 146.48 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 -179.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.52 ' OD1' ' CD ' ' A' ' 60' ' ' GLU . 1.8 m-20 -128.24 135.71 50.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.638 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.532 ' HE1' ' CG1' ' A' ' 50' ' ' VAL . 15.6 m95 -110.12 140.3 44.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.101 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.719 ' O ' ' N ' ' A' ' 55' ' ' TYR . 5.5 mp -109.25 78.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.819 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.6 ptt? 38.26 9.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.153 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.719 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER 175.92 -20.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.456 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.42 159.49 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.62 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -129.05 136.15 49.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.06 160.35 39.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -124.07 143.97 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.623 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 3.8 pt-20 -140.4 78.35 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.964 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -61.6 -9.83 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.448 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.51 ' O ' ' OG ' ' A' ' 62' ' ' SER . 0.1 OUTLIER 63.25 101.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.481 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.551 ' O ' ' OG1' ' A' ' 64' ' ' THR . 0.1 OUTLIER 179.67 122.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 63' ' ' SER . 99.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.685 ' N6 ' ' CD1' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 3' ' ' PHE . 0.1 OUTLIER -115.54 137.59 51.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' A' ' 2' ' ' SER . 12.7 m-85 42.17 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.441 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.36 22.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.7 p -116.63 54.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.776 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.589 ' O ' ' O ' ' A' ' 7' ' ' PRO . 6.6 pttt 29.55 95.53 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.402 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.589 ' O ' ' O ' ' A' ' 6' ' ' LYS . 50.1 Cg_exo -49.9 -141.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.816 2.344 . . . . 0.0 112.238 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.645 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 1.9 t -34.75 162.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.281 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.745 ' O ' HG22 ' A' ' 9' ' ' VAL . 2.3 p 174.06 6.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.99 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.79 ' O ' ' N ' ' A' ' 14' ' ' ALA . 2.3 t -123.49 -4.34 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.641 ' C ' ' H ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -42.66 -44.86 4.46 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.295 -179.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' C ' HG22 ' A' ' 13' ' ' VAL . 3.5 mttm -53.64 -8.52 0.16 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.73 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -155.94 19.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 113.56 -1.654 . . . . 0.0 107.816 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.79 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 13.06 -73.71 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 114.443 -1.253 . . . . 0.0 112.642 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.728 ' CD ' ' HB3' ' A' ' 14' ' ' ALA . 76.3 Cg_exo -19.33 74.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.897 2.398 . . . . 0.0 112.788 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.731 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -118.36 -80.18 0.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.911 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 32' ' ' LYS . 1.4 m-20 -55.07 126.53 25.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.324 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -140.15 164.1 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.12 168.7 19.73 Favored 'General case' 0 C--N 1.281 -2.372 3 O-C-N 108.88 -8.637 . . . . 0.0 110.241 -178.17 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -115.61 133.78 60.91 Favored 'Isoleucine or valine' 1 C--N 1.092 -10.627 2 O-C-N 112.764 -6.21 . . . . 0.0 110.546 -178.821 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.668 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -138.58 114.62 10.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.584 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' CG ' ' H ' ' A' ' 23' ' ' ARG . 47.5 t-20 48.26 -127.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 7.0 mtm180 -88.86 2.68 53.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.605 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.6 m-70 -116.38 156.97 25.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.102 0.477 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 24' ' ' HIS . 4.4 mm? -109.4 136.49 48.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.668 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -107.06 118.19 36.04 Favored 'General case' 0 C--N 1.281 -2.385 0 O-C-N 121.029 -1.044 . . . . 0.0 111.162 -179.044 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 3.3 mt -108.62 154.9 9.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.624 -1.297 . . . . 0.0 109.62 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE1' ' C8 ' ' A' 1318 ' ' ATP . 37.5 m-85 -111.63 156.52 21.69 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.921 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 30' ' ' MET . 61.8 m-20 -96.28 52.11 1.24 Allowed 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.646 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.578 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 2.2 mtp 157.23 141.23 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.607 0.718 . . . . 0.0 110.566 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.673 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -66.47 157.87 30.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.008 -179.718 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.2 ttpp -44.74 -36.84 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.512 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 34' ' ' CYS . 4.9 m -65.49 -70.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.673 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.85 -28.74 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.443 ' HB2' ' N6 ' ' A' 1318 ' ' ATP . 26.7 t80 -62.9 -46.35 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.0 m-80 -66.21 -42.06 89.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.276 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -34.23 77.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.827 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.7 p -58.47 -29.8 66.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.21 -30.83 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -71.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.316 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.8 m -69.23 -52.67 25.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.352 -1.294 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.702 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.58 -44.03 93.48 Favored Glycine 0 CA--C 1.518 0.244 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.347 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' ' 38' ' ' SER . 8.1 t0 60.85 -51.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.03 0.443 . . . . 0.0 110.032 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.702 ' N ' ' O ' ' A' ' 42' ' ' GLY . 16.4 t70 -164.36 55.54 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.202 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.619 ' C ' ' H ' ' A' ' 47' ' ' HIS . 10.6 p -159.35 177.2 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.433 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.525 ' CD1' ' SD ' ' A' ' 30' ' ' MET . 0.1 OUTLIER 62.65 -11.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.762 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.619 ' H ' ' C ' ' A' ' 45' ' ' THR . 0.2 OUTLIER -68.07 102.67 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.584 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.22 156.82 26.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.578 ' O ' ' OE2' ' A' ' 60' ' ' GLU . 25.5 p-80 -140.55 160.49 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.212 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.88 138.39 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' OD2' ' OE2' ' A' ' 60' ' ' GLU . 1.9 m-20 -121.96 134.56 54.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.943 0.401 . . . . 0.0 111.008 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -109.48 137.59 47.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.622 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -108.53 161.26 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 0.0 110.53 -179.368 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.404 ' H ' ' HG ' ' A' ' 53' ' ' LEU . 22.8 ptm -68.54 25.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.029 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.622 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -171.24 -34.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.416 -179.324 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.581 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 23.2 p -139.3 160.84 38.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 15.5 p-10 -109.7 150.0 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.63 154.87 51.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -140.54 144.52 35.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.236 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.626 ' CD ' ' N ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -139.72 75.88 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.052 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -88.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.435 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.8 t -129.52 -83.48 0.56 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.532 ' OG ' ' N ' ' A' ' 64' ' ' THR . 1.0 OUTLIER -108.62 -60.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.546 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.532 ' N ' ' OG ' ' A' ' 63' ' ' SER . 5.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.591 ' C8 ' ' CE1' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -32.46 146.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 110.571 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -152.22 63.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.396 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -82.22 93.99 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 m -147.18 82.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.302 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.752 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 11.5 mmtt -131.73 29.78 0.18 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.332 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.752 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 23.8 Cg_endo -63.99 145.99 90.59 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.382 2.054 . . . . 0.0 111.486 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.996 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -96.55 -144.09 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.33 -179.461 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.996 HG13 ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER 161.31 51.84 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.764 HG23 ' C ' ' A' ' 9' ' ' VAL . 2.1 t 80.65 1.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 114.038 -1.437 . . . . 0.0 108.407 -177.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.662 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 48.5 37.36 8.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.478 179.345 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' H ' ' HG3' ' A' ' 12' ' ' LYS . 2.9 mtmm -61.0 -5.58 1.46 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 13' ' ' VAL . 12.6 p -157.1 15.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 113.934 -1.484 . . . . 0.0 109.469 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.702 ' O ' ' N ' ' A' ' 16' ' ' ARG . . . -127.86 40.27 0.57 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.021 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 14' ' ' ALA . 81.9 Cg_exo -31.95 80.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.238 1.959 . . . . 0.0 111.185 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.0 OUTLIER -91.89 -48.67 6.65 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.77 -178.367 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -90.62 108.24 19.68 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.234 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.509 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 7.4 p90 -140.89 161.31 38.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.513 ' CZ ' HH22 ' A' ' 26' ' ' ARG . 5.8 ttp85 -140.1 161.0 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.412 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 72.4 t -109.07 119.45 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.763 ' HZ1' ' PB ' ' A' 1318 ' ' ATP . 2.3 tppt? -121.57 129.09 52.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.3 m120 38.44 -121.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -95.83 3.3 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.566 ' O ' ' O ' ' A' ' 21' ' ' LYS . 4.3 m170 -117.6 156.37 28.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.099 0.476 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 10.2 mp -109.26 136.51 48.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.682 ' NH1' ' OH ' ' A' ' 28' ' ' TYR . 9.0 ttp85 -109.01 125.51 52.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.9 mt -111.01 157.77 11.77 Favored 'Isoleucine or valine' 1 C--N 1.221 -4.991 0 O-C-N 117.513 -3.242 . . . . 0.0 109.594 179.572 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.682 ' OH ' ' NH1' ' A' ' 26' ' ' ARG . 56.7 m-85 -116.02 127.39 54.87 Favored 'General case' 1 C--N 1.223 -4.919 0 O-C-N 119.828 -1.795 . . . . 0.0 109.661 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 30' ' ' MET . 42.1 t30 -61.8 -4.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.557 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.607 ' SD ' ' CB ' ' A' ' 38' ' ' SER . 3.1 mtt -153.92 119.3 5.15 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.538 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.622 ' O ' ' N ' ' A' ' 35' ' ' PHE . 8.0 m -67.21 166.14 14.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.646 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.675 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 3.0 tttp -37.91 -48.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.29 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 m -66.09 -63.34 1.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.703 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -59.65 -28.27 67.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.982 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.622 ' N ' ' O ' ' A' ' 31' ' ' CYS . 79.9 t80 -65.06 -46.12 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.675 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.1 m-80 -65.82 -39.24 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.9 -31.83 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.738 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.637 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.4 p -64.27 -28.63 69.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.016 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.3 -31.55 54.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -79.05 -68.97 0.61 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.425 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -67.89 -51.1 51.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.988 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.703 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.53 -47.65 75.87 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.507 ' OD1' ' C ' ' A' ' 43' ' ' ASP . 31.3 t0 53.75 -67.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 0.0 111.031 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.703 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.7 t0 -121.18 50.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 45' ' ' THR . 75.8 m -175.96 11.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' C ' ' HE3' ' A' ' 30' ' ' MET . 21.6 p90 -62.8 19.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.911 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.644 ' H ' ' C ' ' A' ' 45' ' ' THR . 3.1 m-70 -120.04 159.57 24.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 111.208 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.88 120.04 2.13 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.591 ' CE1' " O3'" ' A' 1318 ' ' ATP . 3.8 p-80 -130.79 157.91 41.56 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.996 0.427 . . . . 0.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 59' ' ' LYS . 1.7 t -113.41 131.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 116.49 -3.881 . . . . 0.0 110.339 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -115.02 136.46 53.1 Favored 'General case' 1 C--N 1.227 -4.718 0 O-C-N 117.086 -3.508 . . . . 0.0 110.754 179.143 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -109.41 146.7 34.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.222 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.0 mp -112.35 171.2 7.66 Favored 'General case' 1 C--N 1.156 -7.809 0 O-C-N 116.536 -3.852 . . . . 0.0 110.472 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -61.37 -1.08 0.46 Allowed 'General case' 0 C--N 1.263 -3.167 0 O-C-N 120.684 -1.26 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 55' ' ' TYR . 1.1 p90 -174.37 2.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.24 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.27 162.29 33.92 Favored 'General case' 0 C--N 1.252 -3.635 1 O-C-N 113.597 -5.69 . . . . 0.0 110.999 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 155.29 25.4 Favored 'General case' 1 C--N 1.222 -4.952 1 O-C-N 113.856 -5.527 . . . . 0.0 110.29 179.838 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -138.59 154.63 48.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HG2' HG22 ' A' ' 50' ' ' VAL . 42.3 mtpt -140.98 134.45 29.91 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -140.91 78.38 1.64 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.019 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -67.93 -166.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.071 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.554 ' OG ' ' O ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -128.08 121.52 29.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.867 0.365 . . . . 0.0 110.749 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.41 -91.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 179.873 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.763 ' PB ' ' HZ1' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -75.92 119.78 20.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -124.43 25.64 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.418 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -91.23 118.15 30.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.413 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.559 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 5.9 m -43.15 159.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.736 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 1.6 pttt 90.17 32.79 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.133 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 25.4 Cg_endo -63.24 -32.04 73.8 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.57 2.18 . . . . 0.0 111.939 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.038 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -149.35 175.81 11.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.377 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 8' ' ' CYS . 2.3 t 170.71 63.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.792 HG23 ' C ' ' A' ' 9' ' ' VAL . 2.1 t 82.05 -7.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.699 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 62.64 36.27 13.7 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 113.535 -1.666 . . . . 0.0 111.983 177.455 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' CG ' ' HB ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -81.2 -6.75 59.2 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.181 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 m -148.28 15.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.903 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' A' ' 16' ' ' ARG . . . -115.22 60.54 1.37 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.201 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -58.1 62.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.454 2.103 . . . . 0.0 110.34 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -87.35 -50.83 6.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.419 -178.592 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -82.98 106.5 14.86 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -140.35 161.11 38.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 19' ' ' ARG . 3.6 ttp85 -140.37 167.98 20.88 Favored 'General case' 1 C--N 1.194 -6.19 3 O-C-N 107.511 -9.493 . . . . 0.0 110.628 -179.198 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 t -116.72 119.29 61.53 Favored 'Isoleucine or valine' 1 C--N 1.162 -7.584 3 O-C-N 108.799 -8.688 . . . . 0.0 110.41 -179.158 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.691 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 7.0 tptm -120.77 125.69 48.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.256 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 40.93 -120.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.34 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 4.46 45.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.842 0.353 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -109.43 157.66 18.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.498 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 11.6 mt -109.3 136.17 49.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.691 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -111.15 122.62 48.36 Favored 'General case' 0 C--N 1.37 1.488 0 O-C-N 120.84 -1.163 . . . . 0.0 111.135 -178.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.545 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 1.5 mt -109.38 159.64 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.9 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.545 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 45.7 m-85 -118.84 158.94 24.66 Favored 'General case' 0 C--N 1.245 -3.942 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.646 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.592 HD22 ' CA ' ' A' ' 48' ' ' GLY . 18.2 m-20 -84.8 -1.38 56.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.827 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.654 ' SD ' ' O ' ' A' ' 46' ' ' TYR . 3.8 mpp? -147.43 131.59 17.36 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.516 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.633 ' O ' ' N ' ' A' ' 35' ' ' PHE . 2.9 m -57.75 162.61 3.02 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.63 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -46.65 -52.0 14.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.384 . . . . 0.0 111.216 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 m -60.85 -67.85 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.509 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -56.29 -27.68 56.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.291 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.748 ' CG ' ' N6 ' ' A' 1318 ' ' ATP . 2.9 t80 -62.13 -45.88 91.51 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.63 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.5 m-80 -65.66 -41.55 92.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.852 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' SER . 1.5 t-20 -66.74 -34.52 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.919 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.642 ' O ' ' CA ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.41 -32.28 70.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.974 179.502 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 2.7 mt -65.77 -30.72 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.52 -70.22 0.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.835 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.8 m -68.44 -52.19 35.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.135 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.642 ' CA ' ' O ' ' A' ' 38' ' ' SER . . . -65.23 -41.75 96.65 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.642 ' N ' ' O ' ' A' ' 38' ' ' SER . 26.9 t0 61.99 -59.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.0 t0 -178.2 43.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 46' ' ' TYR . 12.4 t -121.02 -38.65 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.004 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.654 ' O ' ' SD ' ' A' ' 30' ' ' MET . 1.0 OUTLIER -106.31 29.2 7.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.982 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -87.62 94.68 9.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.94 0.4 . . . . 0.0 110.142 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.592 ' CA ' HD22 ' A' ' 29' ' ' ASN . . . -146.58 159.36 27.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.633 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 1.9 p-80 -140.73 156.99 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.422 . . . . 0.0 111.024 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.739 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.8 t -118.7 123.18 71.12 Favored 'Isoleucine or valine' 1 C--N 1.231 -4.558 3 O-C-N 107.749 -9.344 . . . . 0.0 110.528 179.851 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 1.9 m-20 -107.8 137.33 46.0 Favored 'General case' 1 C--N 1.148 -8.169 3 O-C-N 109.126 -8.484 . . . . 0.0 110.429 179.276 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.466 ' CE2' ' HB3' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -110.29 139.01 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.18 179.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.627 ' C ' ' H ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -107.82 158.61 17.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -70.64 26.19 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.164 0.507 . . . . 0.0 109.811 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -162.13 -42.11 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.915 -179.488 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.582 ' H ' ' HB3' ' A' ' 53' ' ' LEU . 1.8 t -140.88 160.29 40.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.721 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -113.43 158.19 20.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.512 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.08 155.08 47.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.611 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.739 ' CG ' HG22 ' A' ' 50' ' ' VAL . 4.9 mtmt -133.39 137.85 46.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.5 pm0 -140.56 77.82 1.62 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.013 178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -36.77 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.281 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.557 ' OG ' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -136.44 -167.26 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.324 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.557 ' N ' ' OG ' ' A' ' 62' ' ' SER . 70.1 p -139.85 39.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.756 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.748 ' N6 ' ' CG ' ' A' ' 35' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 172.6 86.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.311 . . . . 0.0 110.608 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.97 130.38 45.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.435 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -105.51 141.27 37.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 5' ' ' VAL . 12.5 p -108.82 -4.4 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.558 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 10.2 mtpt -51.0 -65.35 0.94 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 6' ' ' LYS . 17.1 Cg_endo -59.33 133.0 49.63 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.837 2.358 . . . . 0.0 112.175 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.534 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -65.01 -155.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.694 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.839 ' O ' HG22 ' A' ' 9' ' ' VAL . 2.8 p 173.66 19.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.228 0.537 . . . . 0.0 109.67 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.821 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.6 OUTLIER -126.37 -7.1 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.203 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.553 ' C ' ' H ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.81 -32.28 5.88 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.416 0.626 . . . . 0.0 109.819 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' HG22 ' A' ' 13' ' ' VAL . 5.4 mtpp -65.04 -4.75 5.08 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.737 ' N ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -161.56 24.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 113.134 -1.848 . . . . 0.0 107.702 179.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.821 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 15.9 -73.95 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 114.002 -1.454 . . . . 0.0 113.611 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.74 ' CD ' ' HB3' ' A' ' 14' ' ' ALA . 92.0 Cg_exo -17.14 74.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.278 0 C-N-CA 123.006 2.47 . . . . 0.0 112.845 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.715 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.9 tpp180 -123.75 -71.99 0.7 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.188 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.569 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 6.6 p-10 -66.08 130.7 44.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.454 ' CD1' ' N ' ' A' ' 18' ' ' TRP . 6.4 p-90 -140.86 160.05 40.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.635 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -140.68 160.89 39.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.475 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 32.2 t -108.66 112.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.131 0.491 . . . . 0.0 110.268 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -117.31 114.28 23.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 49.61 -130.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -88.25 1.24 54.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.498 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.746 ' CE1' HD11 ' A' ' 53' ' ' LEU . 5.0 m170 -111.03 161.26 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -108.16 161.05 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.241 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.785 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 2.8 ttt180 -134.07 117.87 17.11 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.177 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 28' ' ' TYR . 2.6 mp -111.68 155.36 13.05 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.385 0 O-C-N 117.602 -3.186 . . . . 0.0 109.537 179.166 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.635 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.8 m-85 -118.42 154.35 32.59 Favored 'General case' 1 C--N 1.213 -5.336 0 O-C-N 120.508 -1.37 . . . . 0.0 110.986 -178.682 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.688 ' C ' ' HB1' ' A' ' 14' ' ' ALA . 36.8 m-80 -89.54 44.02 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.697 ' N ' ' HB1' ' A' ' 14' ' ' ALA . 3.2 mtm 159.71 139.59 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.995 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -60.22 171.36 1.04 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.722 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.513 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.3 tptt -59.21 -36.09 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.24 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.472 ' HB ' ' SG ' ' A' ' 8' ' ' CYS . 9.2 m -65.53 -66.41 0.55 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.72 -179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.695 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.4 p -55.14 -26.85 41.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.525 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' O ' ' OG ' ' A' ' 38' ' ' SER . 23.5 t80 -55.3 -48.67 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 0.0 109.886 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 4.6 m-80 -65.29 -42.15 93.41 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -31.87 72.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.742 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.695 ' N ' ' O ' ' A' ' 34' ' ' CYS . 28.6 p -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.983 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 4.0 mt -65.03 -29.39 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -70.36 0.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.215 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 m -68.18 -50.94 51.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.967 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.684 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.4 -47.56 77.81 Favored Glycine 0 C--N 1.33 0.227 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.572 ' OD1' ' OD1' ' A' ' 44' ' ' ASP . 9.7 t70 58.14 -57.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 0.0 110.977 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.684 ' N ' ' O ' ' A' ' 42' ' ' GLY . 4.6 p-10 179.97 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 42' ' ' GLY . 7.4 t -142.33 0.41 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.03 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.92 25.89 3.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.986 0.422 . . . . 0.0 110.233 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -96.43 134.99 38.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.626 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 169.55 154.44 9.2 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.785 ' CE1' ' NH2' ' A' ' 26' ' ' ARG . 15.9 p-80 -140.37 159.1 42.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.136 0.494 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -113.96 128.62 70.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 116.542 -3.849 . . . . 0.0 109.975 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 2.4 m-20 -123.88 142.17 51.38 Favored 'General case' 1 C--N 1.218 -5.14 0 O-C-N 118.488 -2.632 . . . . 0.0 110.631 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -109.71 148.94 30.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.025 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD11 ' CE1' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -112.79 168.85 9.34 Favored 'General case' 1 C--N 1.155 -7.88 0 O-C-N 118.235 -2.791 . . . . 0.0 110.084 -179.647 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -66.59 4.51 0.76 Allowed 'General case' 0 C--N 1.285 -2.201 0 O-C-N 120.998 -1.064 . . . . 0.0 110.966 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.628 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.2 OUTLIER -173.16 -4.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.962 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.628 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -136.01 161.03 36.82 Favored 'General case' 0 C--N 1.249 -3.779 1 O-C-N 114.813 -4.93 . . . . 0.0 110.986 179.758 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 58' ' ' ALA . 2.5 t0 -112.68 144.83 41.53 Favored 'General case' 0 C--N 1.251 -3.679 1 O-C-N 114.299 -5.25 . . . . 0.0 109.993 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.667 ' N ' ' OD1' ' A' ' 57' ' ' ASP . . . -124.95 153.61 42.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.42 142.44 35.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.057 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.539 ' CD ' ' CE1' ' A' ' 49' ' ' HIS . 4.4 tt0 -139.95 78.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.459 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -88.58 -34.7 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.275 179.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 78.2 164.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.76 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.1 t -159.5 162.53 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.667 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.874 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.591 ' O1A' ' NH2' ' A' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -101.75 88.11 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 3' ' ' PHE . 29.3 p90 -136.97 129.22 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.794 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -141.57 -60.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.476 179.76 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 4' ' ' ARG . 19.0 m -159.08 157.76 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.524 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -156.96 78.8 3.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.547 ' O ' ' O ' ' A' ' 8' ' ' CYS . 59.0 Cg_exo -46.99 -63.75 0.3 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.814 2.343 . . . . 0.0 112.011 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.806 ' SG ' ' N ' ' A' ' 9' ' ' VAL . 2.2 t -40.64 171.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.374 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.827 ' O ' HG22 ' A' ' 9' ' ' VAL . 1.8 p 162.94 61.08 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.706 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.789 HG23 ' C ' ' A' ' 9' ' ' VAL . 2.2 t 84.74 -7.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.693 ' SG ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER 59.15 19.37 7.34 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 113.083 -1.871 . . . . 0.0 111.872 177.251 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -81.74 -0.92 45.2 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 13' ' ' VAL . 7.4 p -148.56 13.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 113.998 -1.455 . . . . 0.0 108.897 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.715 ' O ' ' N ' ' A' ' 16' ' ' ARG . . . -125.25 112.12 26.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.025 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 77.4 Cg_exo -43.04 78.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 121.892 1.728 . . . . 0.0 111.095 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.715 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -62.62 -149.9 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.828 -179.387 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.599 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -87.41 139.9 30.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 p90 -140.2 157.69 45.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.951 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -141.45 161.93 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.296 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 8.1 t -108.01 116.57 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.047 0.451 . . . . 0.0 110.716 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.846 ' HZ2' HH21 ' A' ' 26' ' ' ARG . 5.4 ttmt -119.33 109.99 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.541 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.722 ' N ' HD22 ' A' ' 22' ' ' ASN . 0.7 OUTLIER 54.04 -131.69 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.511 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -88.03 1.36 54.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.574 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.895 ' CE1' HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -109.48 159.57 16.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' C ' ' A' ' 24' ' ' HIS . 3.6 mm? -109.08 138.24 45.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.846 HH21 ' HZ2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -109.2 116.92 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.321 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.83 153.08 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.958 178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' CE1' ' C8 ' ' A' 1318 ' ' ATP . 30.8 m-85 -110.15 150.53 28.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.676 ' ND2' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -69.61 -17.54 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.624 -179.464 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.596 ' HA ' ' SG ' ' A' ' 11' ' ' CYS . 12.2 mtm -145.79 156.45 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.528 ' N ' ' HB3' ' A' ' 16' ' ' ARG . 3.6 m -65.28 172.78 2.9 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.616 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -60.13 -44.04 95.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 m -65.89 -68.72 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.093 0.473 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -47.96 -28.1 2.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.467 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' HB2' ' N6 ' ' A' 1318 ' ' ATP . 20.2 t80 -63.44 -45.94 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.0 m-80 -65.51 -39.18 91.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -31.74 72.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.467 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.629 ' O ' ' CA ' ' A' ' 42' ' ' GLY . 1.0 OUTLIER -60.31 -29.91 69.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -30.66 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -78.74 -70.74 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.205 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 m -68.8 -52.03 34.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.078 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.683 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -65.24 -45.52 90.85 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 38' ' ' SER . 20.9 t0 60.29 -55.89 0.08 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.96 0.409 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.683 ' N ' ' O ' ' A' ' 42' ' ' GLY . 17.9 p-10 -155.26 57.16 0.65 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.602 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.717 HG22 ' H ' ' A' ' 46' ' ' TYR . 4.4 m -164.46 175.44 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.717 ' H ' HG22 ' A' ' 45' ' ' THR . 50.8 m-85 62.39 -16.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.956 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.648 ' CG ' ' O ' ' A' ' 47' ' ' HIS . 6.6 p-80 -61.52 100.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.891 0.377 . . . . 0.0 110.461 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.92 160.47 33.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.659 ' CE1' " H3'" ' A' 1318 ' ' ATP . 14.6 p-80 -139.77 160.17 40.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.81 136.95 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.214 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.89 131.81 54.23 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.471 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.36 140.44 43.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.988 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.895 HD21 ' CE1' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -111.44 155.71 22.76 Favored 'General case' 1 C--N 1.19 -6.356 0 O-C-N 118.966 -2.333 . . . . 0.0 110.479 -179.191 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.414 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -50.65 -10.12 0.06 Allowed 'General case' 0 C--N 1.26 -3.31 0 O-C-N 120.826 -1.171 . . . . 0.0 110.735 -178.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.614 ' CE1' ' OG1' ' A' ' 56' ' ' THR . 0.3 OUTLIER -166.21 8.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.237 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.614 ' OG1' ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -135.63 158.02 45.42 Favored 'General case' 0 C--N 1.269 -2.923 1 O-C-N 115.925 -4.235 . . . . 0.0 110.882 179.305 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -121.17 139.73 52.96 Favored 'General case' 1 C--N 1.241 -4.116 0 O-C-N 116.658 -3.776 . . . . 0.0 110.489 179.772 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.71 155.33 49.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -140.47 141.2 35.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.676 ' OE2' ' N ' ' A' ' 62' ' ' SER . 3.6 tp10 -140.13 79.16 1.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.081 0.467 . . . . 0.0 109.788 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.34 -21.3 27.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.659 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.676 ' N ' ' OE2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER 69.6 -156.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.289 -179.769 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 58.81 -88.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.7 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.668 ' PB ' ' NH2' ' A' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -117.94 130.08 56.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' ARG . 7.5 t80 -160.98 95.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -49.92 -177.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' A' ' 6' ' ' LYS . 4.4 m -117.9 -5.46 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.313 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 5' ' ' VAL . 9.8 mmtp 31.64 82.72 0.21 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -48.43 121.38 6.23 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.748 2.299 . . . . 0.0 111.895 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.779 ' O ' HG12 ' A' ' 9' ' ' VAL . 37.5 t -89.55 -116.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.882 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.4 OUTLIER 94.79 39.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 -178.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.783 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -156.96 -11.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.369 -179.125 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.715 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -45.09 -22.68 0.11 Allowed 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.696 -179.474 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 10' ' ' VAL . 17.0 mtmt -47.46 -12.88 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 10' ' ' VAL . 28.3 m -142.04 10.91 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.106 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.715 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . . . -139.2 151.7 68.07 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.929 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.49 ' HG2' ' H ' ' A' ' 16' ' ' ARG . 65.8 Cg_endo -93.85 -57.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.486 1.045 0 C-N-CA 122.884 2.389 . . . . 0.0 110.854 177.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.734 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER 70.66 -69.37 0.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.414 179.259 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 18.4 p-10 -85.95 125.35 33.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.709 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -141.42 161.84 36.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.102 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 7.9 ttp85 -140.7 160.43 40.05 Favored 'General case' 1 C--O 1.107 -6.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.96 -178.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.471 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 94.9 t -109.3 110.75 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.798 ' NZ ' HH21 ' A' ' 26' ' ' ARG . 0.1 OUTLIER -109.78 117.31 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.662 -179.773 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 1.4 m-20 46.41 -125.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -90.39 -0.25 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.355 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.771 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -111.17 157.14 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 7.4 mp -109.76 138.98 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.798 HH21 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -109.36 124.16 50.52 Favored 'General case' 1 C--O 1.093 -7.133 0 CA-C-O 124.337 2.018 . . . . 0.0 110.86 -179.445 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mt -110.8 151.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 O-C-N 120.133 -1.604 . . . . 0.0 109.843 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.529 ' OH ' ' NH2' ' A' ' 19' ' ' ARG . 55.1 m-85 -117.84 160.75 20.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.939 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.64 ' C ' ' SD ' ' A' ' 30' ' ' MET . 7.3 m-80 -91.74 -18.12 24.39 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.363 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.64 ' SD ' ' C ' ' A' ' 29' ' ' ASN . 2.1 mpp? -134.9 136.43 42.35 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.179 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 3.2 m -61.03 176.42 0.42 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.562 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 8.9 tttp -56.91 -35.27 68.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -70.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.679 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 31' ' ' CYS . 1.2 p -61.19 -27.58 68.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.595 ' O ' ' OG ' ' A' ' 38' ' ' SER . 5.5 t80 -54.08 -49.31 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.37 0.605 . . . . 0.0 109.56 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 2.0 m-80 -66.76 -38.94 87.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.208 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.8 t-20 -65.72 -36.13 82.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.86 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.66 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -57.16 -29.2 63.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 43' ' ' ASP . 7.0 mm -65.64 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -79.28 -64.69 1.13 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.36 178.222 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -66.87 -52.34 44.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.713 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -64.92 -48.83 67.03 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 44' ' ' ASP . 38.0 t70 56.2 -62.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.533 -0.333 . . . . 0.0 111.279 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.713 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.4 t70 -18.64 -73.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.11 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.485 ' HB ' ' CE2' ' A' ' 46' ' ' TYR . 6.5 p -140.53 -82.27 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.077 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.618 ' O ' ' HB2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -150.21 -30.75 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.774 179.333 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.618 ' HB2' ' O ' ' A' ' 46' ' ' TYR . 8.9 m-70 126.63 -137.76 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.43 1.081 . . . . 0.0 110.539 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 47' ' ' HIS . . . -147.74 161.1 28.49 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.71 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -135.36 159.54 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.97 0.414 . . . . 0.0 110.739 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -112.08 140.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.736 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -122.56 134.25 54.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.653 179.418 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -109.99 138.95 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.133 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -109.6 77.32 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.023 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.3 ptm 38.18 7.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.358 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER 178.03 -21.72 0.0 OUTLIER 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.329 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.704 ' OG1' ' CZ ' ' A' ' 55' ' ' TYR . 23.1 m -111.8 160.09 17.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 56' ' ' THR . 4.9 t70 -131.44 137.7 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.524 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.06 160.23 40.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.336 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -116.75 140.61 49.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.604 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.657 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 6.1 pt-20 -140.73 79.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.829 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -110.17 -158.86 0.66 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.82 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.7 m -129.37 -72.86 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.576 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.0 p -121.36 -31.97 3.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.646 -179.895 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1319 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1318 ' ' ATP . . . . . 0.671 H5'2 ' H8 ' ' A' 1318 ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_