data_1lfu_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 1lfu _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 113.802 1.038 . . . . 15.0 113.802 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.477 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 35.2 t30 -55.27 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.908 0.336 . . . . 15.0 111.908 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.522 ' CD1' HG23 ' P' ' 40' ' ' ILE . 30.0 m-85 -57.0 100.49 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 118.55 0.614 . . . . 15.0 111.699 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -68.35 176.41 2.82 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.765 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' P' ' 10' ' ' LYS . 1.0 OUTLIER -55.72 -20.13 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.957 0.355 . . . . 15.0 111.957 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.567 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.5 tp-100 -75.29 -47.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 15.0 110.806 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.602 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.82 -41.71 97.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.886 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -56.24 -55.04 38.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 15.0 111.49 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 23.1 pt-20 -54.99 -40.55 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 15.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' P' ' 11' ' ' GLN . 46.7 mt -72.72 -55.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.307 0.854 . . . . 15.0 113.307 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.528 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 67.3 mt -59.32 -42.98 92.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 7.0 p30 -60.6 -53.36 58.36 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.504 -0.479 . . . . 15.0 111.162 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 49.7 mt-10 -46.45 -43.65 16.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.467 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.401 ' OH ' ' CE1' ' P' ' 23' ' ' HIS . 15.7 t80 -76.89 -38.29 53.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 15.0 110.203 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.589 ' CZ ' ' CD2' ' P' ' 23' A LEU . 0.5 OUTLIER -52.19 -48.57 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.009 178.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.455 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 64.5 m-85 -63.66 11.02 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.506 ' H ' ' C ' ' P' ' 20' ' ' PHE . 60.0 p -114.17 -23.22 9.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.752 0.31 . . . . 15.0 110.325 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.401 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 47.8 m170 -121.85 34.68 5.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.115 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.589 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 6.5 mt -46.42 -56.79 5.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.81 0.338 . . . . 15.0 110.555 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 53.9 m -58.21 -7.54 0.86 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.347 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.408 ' H ' ' C ' ' P' ' 23' A LEU . 74.7 m-80 -142.53 75.13 19.26 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 108.611 -0.885 . . . . 15.0 108.611 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.514 ' HD3' ' O ' ' P' ' 23' A LEU . 33.3 Cg_endo -63.88 48.93 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.604 2.869 . . . . 15.0 114.253 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.2 p90 -154.8 122.53 2.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.658 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.509 ' O ' ' O ' ' P' ' 25' ' ' TYR . 11.8 Cg_endo -51.45 -150.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.212 2.608 . . . . 15.0 112.105 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.571 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 51.5 m -145.82 168.82 19.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.361 -1.718 . . . . 15.0 106.361 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 24.3 pt-20 -50.26 -52.45 36.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 118.906 0.776 . . . . 15.0 110.968 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.78 -29.78 66.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.978 -0.289 . . . . 15.0 110.598 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -65.51 -55.62 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.608 -0.269 . . . . 15.0 110.662 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.571 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -59.18 -23.4 62.2 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.186 -0.606 . . . . 15.0 110.202 178.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.531 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 94.2 mt-10 -75.75 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.87 -0.605 . . . . 15.0 109.823 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.58 -48.77 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.127 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.483 HD11 HG13 ' P' ' 45' ' ' VAL . 96.1 mt -54.71 -61.36 2.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.106 0.479 . . . . 15.0 110.598 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.423 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.02 -30.34 59.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 15.0 112.139 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.531 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.4 OUTLIER -76.37 -46.32 27.94 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 122.123 0.963 . . . . 15.0 109.362 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.95 -46.69 73.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 113.715 -1.584 . . . . 15.0 111.712 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.602 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.5 m -73.94 -52.35 13.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.55 -0.75 . . . . 15.0 112.154 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.85 19.33 5.68 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.15 -0.78 . . . . 15.0 111.15 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.522 HG23 ' CD1' ' P' ' 8' ' ' PHE . 17.8 pt -107.59 -163.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.628 -0.508 . . . . 15.0 109.628 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.478 ' O ' ' C ' ' P' ' 42' ' ' VAL . 10.4 t -121.15 143.34 49.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.569 -0.9 . . . . 15.0 108.569 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.488 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 16.5 t -26.38 -74.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 123.475 0.485 . . . . 15.0 112.039 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 54.5 m -44.02 -31.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.506 ' HB3' ' CE1' ' P' ' 8' ' ' PHE . 25.8 mt-30 -67.44 -37.73 83.44 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.242 -0.583 . . . . 15.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.483 HG13 HD11 ' P' ' 34' ' ' LEU . 67.2 t -56.3 -54.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.56 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.97 -27.52 53.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.238 0.542 . . . . 15.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -51.95 15.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.275 -0.875 . . . . 15.0 109.293 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 66.4 t90 -57.26 -56.41 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.224 -0.898 . . . . 15.0 111.224 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.478 ' CD1' HG12 ' P' ' 45' ' ' VAL . 6.5 m-85 -48.0 -55.9 8.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.77 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.53 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -47.15 -38.7 11.81 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.814 -0.708 . . . . 15.0 113.221 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -71.98 -32.14 66.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.957 0.354 . . . . 15.0 111.957 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.578 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 13.4 mmmm -59.75 -45.68 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.769 0.285 . . . . 15.0 111.769 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.658 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 2.1 ptm85 -60.63 -44.93 95.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.252 0.549 . . . . 15.0 109.723 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.542 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 12.1 mm -55.68 -62.0 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.373 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 44.5 ttp180 -49.72 -31.97 12.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.795 0.331 . . . . 15.0 110.544 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.732 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -57.11 -60.09 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.15 0.5 . . . . 15.0 110.46 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' P' ' 57' ' ' LYS . 10.8 mmpt? -46.27 -17.41 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.426 0.899 . . . . 15.0 113.426 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.542 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.8 OUTLIER -81.09 -38.59 27.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.645 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' P' ' 62' ' ' LYS . 3.4 m120 -135.53 41.62 2.74 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.795 0.665 . . . . 15.0 112.795 -178.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.461 ' HA ' ' CE1' ' P' ' 56' ' ' TYR . 40.7 mm -13.86 -72.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 114.905 1.446 . . . . 15.0 114.905 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.58 -23.19 13.19 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-N 116.069 -0.514 . . . . 15.0 114.1 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.3 tttm -74.21 -38.79 63.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.261 0.553 . . . . 15.0 109.988 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.732 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.5 m-85 -80.23 -29.09 38.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.401 -0.818 . . . . 15.0 111.581 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -56.97 -65.83 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.425 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -51.57 -42.56 61.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.756 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.0 mt-10 -59.31 -51.23 70.82 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.044 -0.724 . . . . 15.0 109.044 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.72 -41.39 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.878 -1.055 . . . . 15.0 110.399 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.996 0.427 . . . . 15.0 110.336 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.425 HG13 ' O ' ' P' ' 65' ' ' GLU . 91.1 mt -62.27 -60.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.624 . . . . 15.0 110.828 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . 0.455 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 56.3 m-85 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.451 -0.795 . . . . 15.0 111.59 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--O 1.232 0.177 0 N-CA-C 108.898 -0.779 . . . . 15.0 108.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.484 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 8.2 t30 -67.61 -83.62 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.953 -1.021 . . . . 15.0 111.957 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.484 ' CZ ' ' ND2' ' P' ' 7' ' ' ASN . 0.2 OUTLIER -69.26 114.41 7.49 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 122.084 -0.385 . . . . 15.0 110.422 -179.4 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -73.11 176.9 5.41 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -54.96 -20.98 10.27 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.695 0.258 . . . . 15.0 111.695 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.8 tp-100 -78.28 -48.31 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 15.0 110.59 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.07 -42.37 99.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.289 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 81.5 p -56.53 -55.29 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.865 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.6 pt-20 -56.47 -43.13 79.28 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.356 0.598 . . . . 15.0 110.644 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.46 HD13 ' O ' ' P' ' 11' ' ' GLN . 53.5 mt -60.95 -59.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 15.0 111.808 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.506 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 57.7 mt -58.66 -46.76 86.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.358 -0.383 . . . . 15.0 110.592 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.525 ' HB3' ' HE2' ' P' ' 21' ' ' TYR . 50.9 m-20 -50.62 -63.24 1.19 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.668 0.27 . . . . 15.0 111.569 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' P' ' 14' ' ' GLU . 97.2 mt-10 -41.1 -50.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.18 -0.463 . . . . 15.0 111.498 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.422 ' CD2' HD13 ' P' ' 34' ' ' LEU . 2.0 t80 -65.19 -43.44 91.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 15.0 111.037 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.591 ' CZ ' ' CD2' ' P' ' 23' A LEU . 0.7 OUTLIER -53.5 -52.72 58.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 15.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.525 ' HE2' ' HB3' ' P' ' 17' ' ' ASN . 59.2 m-85 -59.35 6.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.618 0.599 . . . . 15.0 112.618 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.544 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.9 m -109.22 -22.56 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 15.0 110.513 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.497 ' O ' ' C ' ' P' ' 23' C ASN . 54.7 m170 -124.63 35.65 4.76 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.68 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.601 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.7 mt -45.81 -55.78 6.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.807 0.337 . . . . 15.0 111.121 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -56.64 -15.52 4.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 120.888 -0.325 . . . . 15.0 111.121 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.663 ' HB2' ' CE1' ' P' ' 25' ' ' TYR . 15.8 p30 -156.04 70.2 5.11 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 108.388 -0.968 . . . . 15.0 108.388 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.601 ' HD3' ' O ' ' P' ' 23' A LEU . 9.7 Cg_exo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.868 3.045 . . . . 15.0 115.509 -176.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.663 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.0 OUTLIER -126.66 119.66 22.9 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 109.787 -0.449 . . . . 15.0 109.787 177.147 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.591 ' HD3' ' CD2' ' P' ' 49' ' ' PHE . 7.6 Cg_endo -48.8 -154.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.286 2.657 . . . . 15.0 113.169 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.605 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 47.1 t -155.32 172.2 18.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.448 -1.686 . . . . 15.0 106.448 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -49.09 -53.46 20.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 118.483 0.583 . . . . 15.0 110.959 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.8 -33.64 74.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.75 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.441 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -63.6 -55.81 20.82 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.691 -0.232 . . . . 15.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.605 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -59.73 -24.67 64.2 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 119.998 -0.681 . . . . 15.0 110.257 178.794 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.538 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.7 mt-10 -75.76 -60.74 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.99 178.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -58.87 -48.54 81.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 15.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' P' ' 49' ' ' PHE . 95.9 mt -56.15 -59.82 4.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.966 0.412 . . . . 15.0 110.693 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.421 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.61 -30.08 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.913 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.2 OUTLIER -76.32 -46.73 26.35 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.962 0.887 . . . . 15.0 109.628 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -67.71 -45.4 75.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.918 -1.492 . . . . 15.0 111.881 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.588 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 58.1 m -74.15 -50.2 20.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.812 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.42 17.46 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.226 -0.749 . . . . 15.0 111.226 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.421 ' CG1' ' HA ' ' P' ' 35' ' ' ALA . 12.9 pt -107.28 -163.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.174 -0.513 . . . . 15.0 109.637 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.503 ' O ' ' C ' ' P' ' 42' ' ' VAL . 9.7 t -121.43 145.3 48.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.469 -0.937 . . . . 15.0 108.469 177.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.516 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 6.9 t -27.08 -75.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 123.295 0.372 . . . . 15.0 111.518 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 50.0 m -42.31 -31.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.398 0.888 . . . . 15.0 113.398 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.491 ' HG3' ' CG2' ' P' ' 41' ' ' THR . 85.5 mt-30 -66.71 -33.61 76.02 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.482 -0.487 . . . . 15.0 110.47 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.511 HG12 ' CD1' ' P' ' 49' ' ' PHE . 57.8 t -63.89 -59.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.238 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 55.2 m -51.88 -29.44 19.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.406 0.622 . . . . 15.0 109.816 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.73 -51.64 15.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.025 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 74.6 t90 -57.71 -59.97 4.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.81 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.591 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 7.6 m-85 -47.91 -57.12 6.11 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.485 ' HA2' ' NH1' ' P' ' 53' ' ' ARG . . . -33.04 -67.99 0.18 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 116.01 -0.541 . . . . 15.0 113.992 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -59.22 -40.14 84.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.434 0.531 . . . . 15.0 112.434 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.61 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 4.7 mmmp? -44.95 -55.07 5.82 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.442 0.534 . . . . 15.0 112.442 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.712 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 19.0 ptt-85 -58.08 -45.54 86.99 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.59 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 14.3 mm -54.77 -51.24 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.461 -0.94 . . . . 15.0 108.461 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 2.5 tpm_? -51.03 -39.91 56.99 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.418 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.712 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 3.7 t80 -50.78 -59.61 3.92 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.863 -0.608 . . . . 15.0 111.098 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.543 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 53.5 mttt -50.77 -19.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.987 1.106 . . . . 15.0 113.987 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.59 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.9 OUTLIER -71.92 -38.03 69.95 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.421 -0.585 . . . . 15.0 109.421 179.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' P' ' 58' ' ' LYS . 2.7 m120 -139.94 45.05 1.9 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.877 0.695 . . . . 15.0 112.877 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.543 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 51.0 mm -13.88 -69.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 115.129 1.529 . . . . 15.0 115.129 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.8 -25.43 56.01 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 116.118 -0.492 . . . . 15.0 114.252 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' P' ' 59' ' ' ASN . 87.2 tttt -66.01 -41.3 91.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.096 0.474 . . . . 15.0 110.226 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.67 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 27.7 m-85 -79.02 -27.62 43.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 15.0 111.887 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -52.25 -62.14 1.82 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.49 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.0 tt0 -53.25 -47.62 68.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.546 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' P' ' 69' ' ' ILE . 52.0 mm-40 -54.4 -54.86 34.95 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.047 -0.979 . . . . 15.0 110.517 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -74.43 -34.63 63.27 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.402 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.49 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.8 mt -64.82 -52.43 54.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.781 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 C--N 1.332 -0.179 0 CA-C-O 121.071 0.462 . . . . 15.0 110.624 179.677 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.605 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 65.1 t30 -55.78 -101.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.818 -1.083 . . . . 15.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.651 ' CZ ' ' HB2' ' P' ' 48' ' ' TRP . 28.9 m-85 -65.86 110.81 3.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.027 0.831 . . . . 15.0 109.993 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.82 172.6 5.19 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.77 -0.455 . . . . 15.0 109.77 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.491 ' HD3' ' N ' ' P' ' 11' ' ' GLN . 0.1 OUTLIER -58.1 -15.15 8.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 111.79 0.293 . . . . 15.0 111.79 -179.357 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -79.39 -46.66 17.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.238 0.542 . . . . 15.0 109.883 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.537 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.6 -42.35 98.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.675 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.9 p -56.53 -55.13 37.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 15.0 111.581 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.5 pt-20 -55.97 -41.26 74.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.256 0.55 . . . . 15.0 110.717 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.442 HD13 ' O ' ' P' ' 11' ' ' GLN . 59.4 mt -64.77 -58.31 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.053 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.471 ' HB3' ' CZ3' ' P' ' 48' ' ' TRP . 58.5 mt -60.68 -45.81 92.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.115 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' P' ' 13' ' ' THR . 72.5 m-20 -51.33 -59.92 3.7 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 15.0 110.855 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' P' ' 14' ' ' GLU . 96.9 mt-10 -44.53 -45.5 9.36 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.555 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.91 -36.22 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.742 0.306 . . . . 15.0 110.611 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.603 ' CZ ' ' CD2' ' P' ' 23' A LEU . 22.5 t80 -53.3 -50.49 64.79 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.912 0.386 . . . . 15.0 110.768 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.5 m-85 -59.9 11.39 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.604 0.594 . . . . 15.0 112.604 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.585 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.4 t -116.28 -19.32 10.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 15.0 110.282 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.451 ' HB3' ' OD1' ' P' ' 23' C ASN . 50.6 m170 -125.94 33.18 5.11 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.18 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.633 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.0 mt -43.75 -64.79 0.59 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 53.3 m -58.22 -3.1 0.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.398 0.518 . . . . 15.0 112.398 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.622 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 6.1 p30 -153.97 72.42 6.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.633 ' HD3' ' O ' ' P' ' 23' A LEU . 58.9 Cg_endo -69.47 70.52 1.42 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.847 2.365 . . . . 15.0 113.541 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.622 ' CZ ' ' HB2' ' P' ' 23' C ASN . 11.0 p90 -153.56 120.44 2.93 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.761 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.498 ' HG3' ' CG1' ' P' ' 45' ' ' VAL . 17.8 Cg_endo -54.81 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 123.213 2.609 . . . . 15.0 112.291 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.574 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 46.1 t -149.15 169.23 21.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 105.596 -2.002 . . . . 15.0 105.596 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 95.1 mt-10 -49.31 -53.89 19.76 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.238 0.926 . . . . 15.0 110.561 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.44 -34.58 76.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.504 -0.316 . . . . 15.0 110.519 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.451 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -62.24 -57.07 12.81 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 121.237 -0.185 . . . . 15.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.574 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -58.34 -24.38 59.61 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 120.215 -0.594 . . . . 15.0 110.361 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.524 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 49.3 mt-10 -75.94 -60.04 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 15.0 109.952 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.72 -50.19 74.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.506 -0.315 . . . . 15.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' P' ' 49' ' ' PHE . 96.1 mt -53.75 -62.49 1.62 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.978 0.418 . . . . 15.0 110.687 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.16 -29.83 33.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.554 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.524 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.5 OUTLIER -76.12 -43.15 44.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.992 0.901 . . . . 15.0 109.083 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.99 -48.53 62.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.76 -1.564 . . . . 15.0 111.723 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.537 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 2.0 p -74.33 -51.14 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.683 -0.69 . . . . 15.0 112.498 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.48 19.3 6.24 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.233 -0.747 . . . . 15.0 111.233 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.447 HD11 ' CE2' ' P' ' 8' ' ' PHE . 7.7 pt -104.08 -166.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.177 0.591 . . . . 15.0 109.417 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.507 ' O ' ' C ' ' P' ' 42' ' ' VAL . 8.7 t -117.34 137.87 52.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.507 ' C ' ' O ' ' P' ' 41' ' ' THR . 3.9 t -25.16 -76.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.983 0.421 . . . . 15.0 111.48 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 53.5 m -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.953 0.723 . . . . 15.0 112.953 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.592 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 25.2 tp60 -65.94 -38.3 88.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.498 ' CG1' ' HG3' ' P' ' 26' ' ' PRO . 62.9 t -59.24 -58.52 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 46' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' P' ' 26' ' ' PRO . 47.5 t -51.1 -28.98 11.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.378 0.609 . . . . 15.0 110.306 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.04 -49.45 24.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.114 -0.948 . . . . 15.0 108.638 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.651 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 52.8 t90 -58.1 -59.68 4.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.869 -1.059 . . . . 15.0 111.71 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.485 ' CD1' HG12 ' P' ' 45' ' ' VAL . 7.3 m-85 -47.92 -59.13 3.57 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.343 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.8 -48.22 24.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.24 -0.981 . . . . 15.0 111.961 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . 0.498 ' HA ' HG12 ' P' ' 54' ' ' ILE . 25.8 t-20 -66.19 -30.04 70.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 15.0 110.654 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 50.7 tptt -60.53 -35.6 76.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.629 ' HD2' ' HG3' ' P' ' 24' ' ' PRO . 9.8 ptm180 -72.86 -34.57 66.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.659 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 9.6 mm -55.25 -55.56 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.828 -1.175 . . . . 15.0 107.828 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.429 ' O ' ' CZ ' ' P' ' 63' ' ' PHE . 37.7 ttm180 -49.35 -43.62 43.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.272 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.612 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.7 t80 -54.89 -59.78 4.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.588 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.419 ' HA ' HD11 ' P' ' 60' ' ' ILE . 0.0 OUTLIER -44.96 -17.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.014 1.116 . . . . 15.0 114.014 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.659 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.9 OUTLIER -79.76 -36.3 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.624 0.249 . . . . 15.0 111.616 -178.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.9 m-20 -143.15 45.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 15.0 113.548 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.48 ' HA ' ' CE1' ' P' ' 56' ' ' TYR . 35.9 mm -13.9 -71.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.966 1.469 . . . . 15.0 114.966 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.43 -22.83 16.98 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.149 -0.478 . . . . 15.0 114.138 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.5 tttm -75.77 -37.34 59.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.305 0.574 . . . . 15.0 109.845 179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.612 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 84.4 m-85 -80.41 -28.61 37.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.352 -0.84 . . . . 15.0 111.497 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -57.08 -63.66 1.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.48 -0.563 . . . . 15.0 109.48 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.569 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 50.1 mt-10 -60.5 -49.87 75.82 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.73 -40.98 4.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.85 -1.068 . . . . 15.0 110.554 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.39 -36.91 63.54 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.059 0.457 . . . . 15.0 110.368 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.43 HD13 HG22 ' P' ' 69' ' ' ILE . 85.3 mt -61.76 -62.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.168 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . 0.486 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.2 m-85 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.483 -0.78 . . . . 15.0 111.809 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 109.022 -0.733 . . . . 15.0 109.022 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.634 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 33.1 t30 -59.11 -97.03 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.805 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.634 ' CE1' ' ND2' ' P' ' 7' ' ' ASN . 4.3 m-85 -64.48 109.33 1.92 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.601 0.637 . . . . 15.0 111.008 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . 0.417 ' ND2' ' H ' ' P' ' 10' ' ' LYS . 0.7 OUTLIER -69.02 174.56 4.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.703 -0.48 . . . . 15.0 109.703 179.313 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.492 ' NZ ' ' HB3' ' P' ' 10' ' ' LYS . 8.1 mtpm? -55.7 -19.92 12.58 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.911 0.337 . . . . 15.0 111.911 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 68.4 tp60 -76.34 -47.37 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 15.0 110.446 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.627 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.26 -45.09 93.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.563 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 69.1 p -56.79 -54.49 45.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.479 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.6 pt-20 -53.31 -38.9 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.285 0.564 . . . . 15.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.44 HD11 ' HG3' ' P' ' 11' ' ' GLN . 58.9 mt -72.5 -54.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.226 -0.897 . . . . 15.0 112.954 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.491 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 81.4 mt -60.15 -44.95 94.56 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.68 0.622 . . . . 15.0 112.68 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.575 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 17.7 p30 -60.55 -50.99 71.33 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.285 -0.566 . . . . 15.0 110.671 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.575 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 62.8 mm-40 -43.7 -39.04 3.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.475 . . . . 15.0 110.864 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.532 ' HD2' HD12 ' P' ' 34' ' ' LEU . 1.7 t80 -83.22 -34.96 25.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.724 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.693 ' CZ ' ' CD2' ' P' ' 23' A LEU . 18.9 t80 -53.24 -53.49 49.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.98 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.455 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 63.7 m-85 -57.97 10.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.536 ' H ' ' C ' ' P' ' 20' ' ' PHE . 85.4 p -115.02 -18.38 11.24 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.22 -0.3 . . . . 15.0 110.779 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' P' ' 24' ' ' PRO . 62.8 m170 -129.5 31.72 4.75 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.095 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.693 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 13.9 mt -40.7 -62.28 0.82 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.087 0.403 . . . . 15.0 112.087 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.6 t -58.72 -9.96 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.493 0.553 . . . . 15.0 112.493 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.432 ' HB2' ' CE2' ' P' ' 25' ' ' TYR . 15.9 p-10 -173.03 70.52 0.39 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.688 0.28 . . . . 15.0 110.58 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.598 ' HD3' ' O ' ' P' ' 23' A LEU . 61.8 Cg_endo -72.32 90.53 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.67 2.246 . . . . 15.0 111.899 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' P' ' 23' C ASN . 4.4 m-30 -123.37 89.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.826 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 81.1 Cg_endo -66.31 91.11 0.27 Allowed 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.594 2.196 . . . . 15.0 111.172 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.528 ' N ' ' HB2' ' P' ' 30' ' ' ALA . 47.0 t -37.73 167.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.907 0.754 . . . . 15.0 111.499 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -44.73 -46.26 10.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.542 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.63 -32.56 68.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.557 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.583 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -65.53 -56.95 9.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.487 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.826 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -60.98 -23.39 65.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.025 0.44 . . . . 15.0 110.065 178.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.539 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 83.9 mt-10 -75.7 -59.8 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.693 . . . . 15.0 109.139 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.8 pt-20 -58.66 -47.97 82.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.61 HD13 ' CE1' ' P' ' 49' ' ' PHE . 91.6 mt -53.46 -60.45 3.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.999 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.91 -30.78 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 15.0 112.207 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.76 -46.68 29.48 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.963 0.887 . . . . 15.0 109.266 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -67.66 -46.07 73.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.452 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.627 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 64.4 m -73.92 -53.17 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.24 -0.891 . . . . 15.0 112.297 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.35 17.9 6.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.896 -0.669 . . . . 15.0 111.525 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.441 HD11 ' CD2' ' P' ' 8' ' ' PHE . 8.1 pt -104.88 -165.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.3 t -116.67 137.21 52.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.522 -0.918 . . . . 15.0 108.522 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.56 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 21.8 t -21.86 -78.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 120.968 0.413 . . . . 15.0 111.877 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 41.8 m -42.74 -28.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.493 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' P' ' 41' ' ' THR . 53.9 tp60 -66.37 -38.22 87.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.171 0.51 . . . . 15.0 109.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' P' ' 49' ' ' PHE . 78.2 t -60.48 -57.02 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.634 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -53.71 -25.28 17.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.267 0.556 . . . . 15.0 110.341 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.94 -50.2 21.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.249 -0.887 . . . . 15.0 108.977 178.129 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.521 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 51.0 t90 -57.87 -60.3 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 15.0 111.507 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' P' ' 34' ' ' LEU . 8.3 m-85 -48.18 -59.06 3.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.462 -0.79 . . . . 15.0 112.143 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.645 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.3 -48.34 6.81 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.714 -0.755 . . . . 15.0 112.682 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . 0.43 ' HA ' HG12 ' P' ' 54' ' ' ILE . 22.6 t-20 -75.47 -28.17 59.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.587 0.232 . . . . 15.0 111.53 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 21.2 tptm -60.24 -39.86 88.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.866 0.321 . . . . 15.0 111.866 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.614 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.9 ptm180 -71.17 -36.18 71.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.571 -0.9 . . . . 15.0 108.571 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.645 HG12 ' O ' ' P' ' 50' ' ' GLY . 27.5 mm -53.89 -55.0 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.519 -0.764 . . . . 15.0 109.35 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.425 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 71.1 mtp180 -49.58 -42.06 43.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.708 0.289 . . . . 15.0 110.983 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.741 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 3.3 t80 -47.68 -59.97 2.9 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.165 0.507 . . . . 15.0 110.981 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' P' ' 57' ' ' LYS . 0.0 OUTLIER -46.29 -19.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.427 0.899 . . . . 15.0 113.427 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.544 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.6 OUTLIER -83.79 -39.09 20.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.537 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' P' ' 62' ' ' LYS . 60.0 m-20 -133.86 40.01 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.625 0.602 . . . . 15.0 112.625 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.458 HD12 ' CZ ' ' P' ' 56' ' ' TYR . 36.7 mm -13.69 -71.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 114.547 1.314 . . . . 15.0 114.547 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.11 -25.82 40.36 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.025 -0.534 . . . . 15.0 114.138 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -70.46 -39.33 74.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.183 0.516 . . . . 15.0 110.106 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.741 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 96.1 m-85 -76.14 -30.81 58.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.762 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -55.2 -62.09 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.874 -0.417 . . . . 15.0 109.874 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -51.24 -46.61 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.46 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' P' ' 69' ' ' ILE . 96.8 mt-10 -56.47 -51.76 67.24 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 108.796 -0.816 . . . . 15.0 108.796 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.81 -44.8 7.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.331 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -69.83 -34.51 73.76 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.168 -0.469 . . . . 15.0 109.977 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' P' ' 66' ' ' GLU . 78.6 mt -66.63 -54.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.877 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . 0.421 ' CD2' ' OD1' ' P' ' 17' ' ' ASN . 77.3 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.678 -0.692 . . . . 15.0 111.785 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 ptm85 . . . . . 0 CA--C 1.522 -0.13 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.447 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 6.3 t30 -60.1 -89.66 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.692 -1.14 . . . . 15.0 111.554 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' P' ' 48' ' ' TRP . 0.3 OUTLIER -61.2 102.67 0.23 Allowed 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.346 0.593 . . . . 15.0 111.053 -179.156 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -65.02 173.32 2.43 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.133 -0.939 . . . . 15.0 110.127 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -55.01 -16.98 3.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.647 0.26 . . . . 15.0 111.545 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.4 tp-100 -79.21 -46.95 16.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.007 0.432 . . . . 15.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.09 -43.52 98.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.855 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 68.8 p -56.98 -56.1 26.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.074 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 14.2 pt-20 -52.7 -38.05 60.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.315 0.579 . . . . 15.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.436 HD12 ' HG3' ' P' ' 11' ' ' GLN . 65.0 mt -71.27 -56.06 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.271 -0.877 . . . . 15.0 113.239 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.525 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 72.3 mt -60.45 -43.75 96.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.158 0.799 . . . . 15.0 113.158 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 19.6 p30 -60.46 -52.83 63.52 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.265 -0.574 . . . . 15.0 111.028 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.476 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 50.1 mt-10 -45.97 -37.53 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 15.0 111.362 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.444 ' HD2' HD12 ' P' ' 34' ' ' LEU . 1.8 t80 -81.91 -40.37 22.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.929 0.395 . . . . 15.0 110.636 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.549 ' CE1' HD22 ' P' ' 23' A LEU . 0.3 OUTLIER -49.16 -48.23 45.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.504 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 68.5 m-85 -61.39 4.98 0.08 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.486 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.5 t -108.37 -25.97 10.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.556 0.217 . . . . 15.0 111.059 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.435 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 53.8 m170 -124.67 38.98 4.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.521 -0.309 . . . . 15.0 111.461 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.633 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 6.7 mt -46.45 -62.0 1.56 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.828 0.347 . . . . 15.0 111.121 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 23' B SER . . . . . 0.517 ' O ' ' ND2' ' P' ' 23' C ASN . 80.3 p -59.91 -8.79 2.42 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.912 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.517 ' ND2' ' O ' ' P' ' 23' B SER . 8.0 m120 -141.41 69.06 26.58 Favored Pre-proline 0 N--CA 1.462 0.151 0 CA-C-O 121.026 0.441 . . . . 15.0 110.092 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.633 ' HD3' ' O ' ' P' ' 23' A LEU . 48.8 Cg_endo -66.91 61.53 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.03 2.487 . . . . 15.0 113.222 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' P' ' 23' C ASN . 4.5 p90 -154.01 97.02 2.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 121.087 0.47 . . . . 15.0 110.197 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.696 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 87.7 Cg_endo -69.56 113.01 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.531 2.821 . . . . 15.0 112.934 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.408 ' O ' ' O ' ' P' ' 26' ' ' PRO . 51.1 m -36.19 159.75 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.258 -0.883 . . . . 15.0 111.256 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 94.6 mt-10 -46.26 -42.93 15.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.752 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.59 -24.07 56.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.849 0.357 . . . . 15.0 110.855 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.593 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -69.71 -54.28 14.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.982 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.696 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -62.3 -21.36 65.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.325 178.558 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.536 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 41.1 mt-10 -75.48 -59.78 2.6 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.56 -45.36 89.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' P' ' 30' ' ' ALA . 96.2 mt -56.64 -60.7 3.17 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.31 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.77 59.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.988 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.536 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.42 -46.77 30.74 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.991 0.901 . . . . 15.0 108.714 179.217 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -65.63 -48.97 70.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.905 -1.498 . . . . 15.0 110.701 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.574 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 39.3 m -74.46 -52.04 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.975 -1.012 . . . . 15.0 111.66 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.6 23.89 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.866 -0.683 . . . . 15.0 111.872 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.429 HG23 ' CD2' ' P' ' 8' ' ' PHE . 3.8 pt -101.75 -168.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 122.293 0.237 . . . . 15.0 110.826 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.476 ' O ' ' N ' ' P' ' 43' ' ' SER . 4.9 t -109.87 90.1 3.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.633 0.254 . . . . 15.0 110.634 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.573 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 14.4 t 17.43 -83.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 124.205 0.94 . . . . 15.0 112.142 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 43' ' ' SER . . . . . 0.476 ' N ' ' O ' ' P' ' 41' ' ' THR . 38.0 m -44.62 -24.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.501 ' HG3' ' CE2' ' P' ' 8' ' ' PHE . 48.1 tp60 -67.01 -37.52 84.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.945 -0.761 . . . . 15.0 108.945 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.556 HG12 HD11 ' P' ' 34' ' ' LEU . 89.3 t -56.33 -54.72 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.18 -0.918 . . . . 15.0 109.699 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -56.04 -27.98 55.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.345 0.593 . . . . 15.0 110.27 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.58 -52.04 14.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.167 -0.924 . . . . 15.0 109.616 178.776 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.549 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 82.0 t90 -56.89 -54.41 46.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.359 -0.837 . . . . 15.0 110.649 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.472 ' CZ ' HD13 ' P' ' 34' ' ' LEU . 6.5 m-85 -48.36 -54.19 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.393 -0.821 . . . . 15.0 110.87 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.633 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.56 -32.58 5.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.851 -0.69 . . . . 15.0 112.95 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' P' ' 54' ' ' ILE . 1.1 t-20 -73.72 -54.18 8.67 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.771 0.32 . . . . 15.0 111.845 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.512 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 29.6 mmmt -38.81 -45.45 1.15 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.597 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.605 ' C ' ' H ' ' P' ' 55' ' ' ARG . 2.4 ptm85 -64.53 -47.36 79.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.633 HG12 ' O ' ' P' ' 50' ' ' GLY . 19.1 mm -60.42 6.03 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.128 0.49 . . . . 15.0 111.133 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.605 ' H ' ' C ' ' P' ' 53' ' ' ARG . 19.0 tpp180 -123.4 -24.61 4.58 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.766 -0.827 . . . . 15.0 108.766 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.608 ' C ' HD11 ' P' ' 60' ' ' ILE . 47.8 t80 -61.53 -68.57 0.3 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.323 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.773 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 20.4 mtmt -49.36 -22.12 1.04 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.353 -0.84 . . . . 15.0 112.623 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.594 ' HD2' ' N ' ' P' ' 58' ' ' LYS . 0.7 OUTLIER -71.73 -37.67 70.55 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.449 -0.796 . . . . 15.0 108.912 178.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.2 m-20 -139.32 31.92 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.433 0.901 . . . . 15.0 113.433 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.773 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 42.2 mm -14.2 -67.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 114.842 1.423 . . . . 15.0 114.842 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.81 -28.62 31.72 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.355 -0.45 . . . . 15.0 113.399 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' P' ' 59' ' ' ASN . 2.6 tmmm? -67.8 -40.71 83.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.59 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 42.5 m-85 -77.49 -28.78 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.583 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -50.98 -65.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.403 ' O ' HG13 ' P' ' 69' ' ' ILE . 38.8 tt0 -52.64 -45.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.853 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' P' ' 69' ' ' ILE . 97.6 mt-10 -57.39 -52.43 65.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.345 0.593 . . . . 15.0 109.465 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.16 -39.41 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -72.89 -35.84 67.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.43 . . . . 15.0 110.27 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' P' ' 66' ' ' GLU . 69.3 mt -66.17 -54.3 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.165 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.836 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 N--CA 1.466 0.366 0 N-CA-C 109.055 -0.72 . . . . 15.0 109.055 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 26.8 t30 -56.99 -94.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.593 -1.185 . . . . 15.0 112.784 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.672 ' CZ ' ' HB2' ' P' ' 48' ' ' TRP . 4.1 m-85 -66.21 116.3 7.13 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.359 0.527 . . . . 15.0 110.773 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . 0.435 ' ND2' ' H ' ' P' ' 10' ' ' LYS . 0.7 OUTLIER -74.28 178.07 5.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.218 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.1 OUTLIER -55.56 -25.19 36.66 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.842 0.312 . . . . 15.0 111.842 -179.258 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.5 tt0 -74.91 -49.04 21.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.438 . . . . 15.0 110.576 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.582 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.79 -41.76 98.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 15.0 111.47 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 71.6 p -57.66 -54.92 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.964 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.2 pt-20 -56.5 -44.08 80.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.333 0.587 . . . . 15.0 110.545 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.44 HD13 ' O ' ' P' ' 11' ' ' GLN . 56.1 mt -59.18 -61.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.16 -0.927 . . . . 15.0 111.785 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 52.4 mt -57.41 -45.48 84.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 15.0 110.723 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.48 ' HB3' ' CE2' ' P' ' 21' ' ' TYR . 52.5 m-20 -53.51 -60.96 2.64 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.597 0.237 . . . . 15.0 111.561 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' P' ' 14' ' ' GLU . 55.3 mt-10 -43.41 -38.88 2.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.31 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.445 ' CD2' HD12 ' P' ' 34' ' ' LEU . 1.8 t80 -79.62 -39.03 32.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 15.0 110.41 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.563 ' C ' ' H ' ' P' ' 22' ' ' SER . 28.4 t80 -53.29 -54.51 35.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.651 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' P' ' 17' ' ' ASN . 58.5 m-85 -56.84 6.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.81 0.671 . . . . 15.0 112.81 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.563 ' H ' ' C ' ' P' ' 20' ' ' PHE . 46.0 t -108.71 -20.79 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.385 -0.197 . . . . 15.0 110.89 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.45 ' HB3' ' O ' ' P' ' 23' C ASN . 64.4 m170 -129.9 35.75 4.12 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.623 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.616 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -43.65 -61.72 1.31 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 80.0 p -58.12 -8.44 1.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.567 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 13.9 p30 -159.6 66.88 2.87 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.633 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 5.7 Cg_exo -78.32 59.93 7.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.114 2.542 . . . . 15.0 114.225 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.636 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.4 p90 -125.46 108.01 26.66 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.636 ' O ' ' O ' ' P' ' 25' ' ' TYR . 1.3 Cg_endo -44.42 -151.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.337 2.692 . . . . 15.0 112.954 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.54 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 57.8 m -156.0 170.44 22.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.356 -1.72 . . . . 15.0 106.356 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -49.07 -52.5 25.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.463 0.574 . . . . 15.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -69.59 -33.99 73.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.797 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -62.52 -55.67 25.24 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.995 -0.282 . . . . 15.0 110.645 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -58.96 -23.95 62.09 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.274 178.854 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.522 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.6 mt-10 -75.72 -60.08 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.896 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' P' ' 34' ' ' LEU . 16.8 pt-20 -58.58 -48.96 79.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 15.0 110.221 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.521 HD13 ' CE1' ' P' ' 49' ' ' PHE . 97.5 mt -56.09 -59.75 4.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.91 0.386 . . . . 15.0 110.573 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.55 -30.08 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.405 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -76.26 -46.53 27.61 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 122.003 0.906 . . . . 15.0 109.374 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -66.87 -45.53 77.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.849 -1.523 . . . . 15.0 111.791 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.582 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 57.2 m -74.26 -49.48 23.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 15.0 112.046 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 17.7 8.32 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.893 -0.883 . . . . 15.0 110.893 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' P' ' 8' ' ' PHE . 19.8 pt -105.68 -163.82 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.507 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.8 t -121.17 144.23 48.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.516 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 10.6 t -26.0 -75.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 123.254 0.347 . . . . 15.0 111.554 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 51.7 m -42.33 -30.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.234 0.827 . . . . 15.0 113.234 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.507 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.3 mm100 -66.77 -33.79 76.41 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.09 0.471 . . . . 15.0 110.178 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' P' ' 49' ' ' PHE . 55.1 t -64.82 -60.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.614 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -51.93 -27.59 13.57 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.434 0.635 . . . . 15.0 109.932 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -51.06 17.26 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.255 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.672 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 72.5 t90 -57.66 -60.62 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.564 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.521 ' CE1' HD13 ' P' ' 34' ' ' LEU . 7.0 m-85 -47.36 -56.02 7.7 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.769 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.493 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -36.04 -61.89 0.75 Allowed Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.14 -0.482 . . . . 15.0 113.89 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -64.89 -23.2 67.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.797 0.665 . . . . 15.0 112.797 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.593 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.7 mmmt -59.93 -49.37 77.94 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.028 0.381 . . . . 15.0 112.028 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.673 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.4 ptt-85 -65.02 -42.72 94.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.549 -0.537 . . . . 15.0 109.549 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.543 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 15.2 mm -55.4 -58.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.407 -0.961 . . . . 15.0 108.407 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.652 ' HG3' ' HZ ' ' P' ' 63' ' ' PHE . 10.7 tpt180 -53.18 -37.14 61.65 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.792 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.691 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.2 OUTLIER -49.17 -60.42 2.81 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.378 0.609 . . . . 15.0 110.657 178.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.502 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 74.3 mmtt -48.86 -20.37 0.49 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.141 -0.936 . . . . 15.0 113.477 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.543 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 2.6 mptp? -75.37 -39.13 59.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.241 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.7 m-20 -135.71 42.75 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.069 0.766 . . . . 15.0 113.069 -178.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 47.7 mm -14.21 -71.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 115.274 1.583 . . . . 15.0 115.274 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.38 -24.4 51.87 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 116.043 -0.526 . . . . 15.0 114.117 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' P' ' 59' ' ' ASN . 63.2 tttp -65.09 -42.07 94.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.01 0.433 . . . . 15.0 110.015 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.691 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 37.6 m-85 -77.27 -24.93 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.935 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -55.22 -63.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.99 -47.15 65.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.584 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.0 mt-10 -54.93 -53.7 52.24 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.003 -0.74 . . . . 15.0 109.003 178.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.57 -44.38 6.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.011 -0.995 . . . . 15.0 110.368 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.984 0.421 . . . . 15.0 110.517 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' P' ' 66' ' ' GLU . 72.6 mt -65.95 -57.65 9.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.433 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . 0.401 ' HB3' ' HG2' ' P' ' 18' ' ' GLU . 86.2 m-85 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.686 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 24.1 ptt85 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 107.575 -1.268 . . . . 15.0 107.575 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.688 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 31.9 t30 -61.28 -95.66 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 113.9 -1.5 . . . . 15.0 110.779 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.688 ' CE1' ' ND2' ' P' ' 7' ' ' ASN . 15.0 m-85 -64.81 110.62 2.47 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.743 0.702 . . . . 15.0 109.833 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . 0.469 ' ND2' ' CD ' ' P' ' 10' ' ' LYS . 42.5 t30 -69.21 174.23 4.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.456 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.469 ' CD ' ' ND2' ' P' ' 9' ' ' ASN . 0.0 OUTLIER -57.89 -18.3 21.99 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.999 -0.281 . . . . 15.0 111.538 -178.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -76.29 -47.48 23.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 15.0 109.815 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.592 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.45 -45.4 91.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.589 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.494 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.7 p -53.54 -57.45 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.966 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.3 pt-20 -54.05 -39.34 66.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.385 0.612 . . . . 15.0 110.753 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 83.4 mt -66.59 -55.95 16.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.214 -0.903 . . . . 15.0 112.109 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.502 ' HB3' ' CZ3' ' P' ' 48' ' ' TRP . 72.9 mt -62.3 -48.02 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.42 0.526 . . . . 15.0 112.42 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' P' ' 13' ' ' THR . 19.4 p30 -60.73 -52.13 66.4 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.398 -0.521 . . . . 15.0 110.741 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.464 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 43.6 mm-40 -45.32 -34.61 3.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.862 0.363 . . . . 15.0 110.857 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.547 ' HD2' HD13 ' P' ' 34' ' ' LEU . 1.8 t80 -82.94 -40.92 19.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.467 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.645 ' CZ ' HD23 ' P' ' 23' A LEU . 3.4 t80 -48.25 -52.22 22.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 15.0 110.482 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.3 m-85 -56.19 2.43 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.501 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.52 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.7 m -107.03 -23.0 12.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.646 0.26 . . . . 15.0 110.323 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -130.2 42.05 3.32 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.945 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.645 HD23 ' CZ ' ' P' ' 20' ' ' PHE . 2.7 mt -45.39 -61.17 1.78 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.56 0.219 . . . . 15.0 111.471 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 23' B SER . . . . . 0.5 ' O ' ' ND2' ' P' ' 23' C ASN . 52.8 m -58.26 -4.09 0.33 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.5 ' ND2' ' O ' ' P' ' 23' B SER . 8.1 m120 -141.59 73.13 24.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' P' ' 23' A LEU . 47.0 Cg_endo -67.53 55.84 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.022 2.481 . . . . 15.0 113.25 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.47 124.35 3.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.118 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.572 ' HD3' ' CG ' ' P' ' 49' ' ' PHE . 36.3 Cg_endo -60.14 -151.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.756 2.304 . . . . 15.0 111.807 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.547 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 44.5 t -144.06 172.4 12.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.289 -1.745 . . . . 15.0 106.289 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.6 mt-10 -52.52 -54.93 26.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.993 0.815 . . . . 15.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -70.78 -23.84 62.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.5 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -72.55 -53.77 11.05 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.752 0.311 . . . . 15.0 110.467 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.547 ' HD2' ' O ' ' P' ' 27' ' ' SER . 0.8 OUTLIER -61.51 -21.98 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.569 -0.452 . . . . 15.0 110.4 179.066 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.533 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 48.5 mt-10 -75.87 -59.51 2.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.74 -47.93 82.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 15.0 109.824 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.547 HD13 ' HD2' ' P' ' 19' ' ' TYR . 93.4 mt -54.55 -59.02 5.26 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.499 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.84 -32.12 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 15.0 112.417 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.77 -46.78 28.92 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.919 0.866 . . . . 15.0 109.325 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -66.13 -45.52 80.75 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.864 -1.517 . . . . 15.0 111.519 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.592 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 37.9 m -74.18 -51.06 16.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.369 -0.832 . . . . 15.0 112.148 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.2 20.33 6.34 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' P' ' 35' ' ' ALA . 16.8 pt -108.71 -162.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 15.0 109.417 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.486 ' O ' ' C ' ' P' ' 42' ' ' VAL . 9.1 t -121.5 145.0 48.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.5 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 22.1 t -27.23 -74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.77 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 51.4 m -43.2 -31.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.498 0.925 . . . . 15.0 113.498 -178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.483 ' HG3' ' CG2' ' P' ' 41' ' ' THR . 86.6 mt-30 -66.68 -35.99 81.45 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.364 -0.535 . . . . 15.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.513 HG11 HD12 ' P' ' 34' ' ' LEU . 54.9 t -61.33 -57.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.98 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -51.82 -54.42 29.06 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.348 0.594 . . . . 15.0 109.518 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -50.81 -50.91 55.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.924 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.588 ' CH2' ' HG2' ' P' ' 52' ' ' LYS . 73.0 t90 -57.35 -55.67 31.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.092 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.697 ' HA ' ' HD2' ' P' ' 52' ' ' LYS . 6.0 m-85 -47.47 -52.38 17.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.655 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.5 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -58.0 -37.2 84.52 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.121 -1.038 . . . . 15.0 112.89 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . 0.457 ' O ' HG12 ' P' ' 54' ' ' ILE . 78.7 m-20 -65.24 -77.96 0.06 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.116 0.784 . . . . 15.0 113.116 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.697 ' HD2' ' HA ' ' P' ' 49' ' ' PHE . 0.0 OUTLIER -41.14 -39.17 1.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.845 0.683 . . . . 15.0 112.845 -177.833 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.752 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 0.0 OUTLIER -53.37 -46.02 69.43 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 178.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.544 ' O ' ' HD3' ' P' ' 58' ' ' LYS . 11.4 mm -53.19 -52.79 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.244 -0.434 . . . . 15.0 110.107 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.487 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 4.1 ptt-85 -53.81 -24.81 16.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.513 -0.475 . . . . 15.0 111.486 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.759 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -59.19 -60.01 4.54 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.562 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 74.5 mmtt -46.43 -15.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.372 0.878 . . . . 15.0 113.372 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.544 ' HD3' ' O ' ' P' ' 54' ' ' ILE . 0.7 OUTLIER -81.63 -36.58 28.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.88 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' P' ' 62' ' ' LYS . 61.0 m-80 -136.5 37.89 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.666 0.617 . . . . 15.0 112.666 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.562 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 51.5 mm -13.71 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 115.046 1.498 . . . . 15.0 115.046 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.35 -25.85 27.84 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 116.188 -0.46 . . . . 15.0 113.623 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -68.03 -40.41 82.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.959 0.409 . . . . 15.0 110.389 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.759 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 39.3 m-85 -82.01 -23.49 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.948 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -56.72 -65.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.466 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.1 tt0 -53.07 -46.44 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.74 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' P' ' 69' ' ' ILE . 5.6 mm-40 -55.8 -53.66 54.03 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.25 -39.52 3.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.807 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -74.18 -33.69 63.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.015 0.436 . . . . 15.0 110.196 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.466 HG13 ' O ' ' P' ' 65' ' ' GLU . 74.9 mt -68.85 -50.22 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.832 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 121.253 0.549 . . . . 15.0 110.648 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 ptt85 . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 112.33 0.493 . . . . 15.0 112.33 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.547 ' ND2' ' CD1' ' P' ' 8' ' ' PHE . 37.1 t30 -55.01 -90.05 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.68 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.55 ' CD2' ' CD1' ' P' ' 48' ' ' TRP . 2.6 m-30 -81.72 120.25 24.89 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.699 -0.482 . . . . 15.0 109.699 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -72.95 173.34 9.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.167 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' P' ' 10' ' ' LYS . 12.9 mptt -55.73 -30.2 60.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.782 0.325 . . . . 15.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -65.77 -51.05 62.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.38 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.59 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.599 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.491 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 44.5 p -57.09 -56.02 27.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.1 pt-20 -55.22 -42.92 73.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.467 0.651 . . . . 15.0 110.547 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.404 HD11 ' O ' ' P' ' 11' ' ' GLN . 75.6 mt -64.09 -56.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.038 -0.983 . . . . 15.0 111.804 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 80.1 mt -63.19 -47.31 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 15.0 112.813 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -60.64 -52.93 63.06 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.056 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 45.9 mt-10 -44.01 -44.97 7.66 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.719 0.295 . . . . 15.0 111.308 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.539 ' HD2' HD13 ' P' ' 34' ' ' LEU . 1.9 t80 -71.57 -40.25 70.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 15.0 110.393 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.607 ' CE1' HD22 ' P' ' 23' A LEU . 1.3 t80 -51.71 -48.74 63.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.728 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -62.77 8.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.302 0.482 . . . . 15.0 112.302 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.528 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.7 t -105.83 -24.92 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 15.0 110.571 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.526 ' O ' ' C ' ' P' ' 23' C ASN . 59.8 m170 -127.93 38.67 3.98 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.134 -0.485 . . . . 15.0 111.053 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.746 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -42.46 -62.09 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 46.6 t -58.73 -10.85 2.58 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.933 0.346 . . . . 15.0 111.933 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.526 ' C ' ' O ' ' P' ' 23' ' ' HIS . 75.2 m-80 -150.74 69.7 8.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.746 ' HD3' ' O ' ' P' ' 23' A LEU . 58.9 Cg_endo -81.16 54.1 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.876 2.384 . . . . 15.0 114.028 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.596 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.0 p90 -129.45 110.6 17.75 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 177.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.734 ' HG2' ' HE3' ' P' ' 31' ' ' LYS . 3.3 Cg_endo -46.36 -151.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.257 2.638 . . . . 15.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.671 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 53.5 m -154.73 176.93 11.83 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.138 -1.43 . . . . 15.0 107.138 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -53.13 -53.08 55.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.078 -0.649 . . . . 15.0 110.464 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.17 -26.03 61.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.815 0.302 . . . . 15.0 111.815 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.472 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -66.94 -52.07 47.47 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.734 ' HE3' ' HG2' ' P' ' 26' ' ' PRO . 12.2 mttt -55.17 -30.54 60.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.496 178.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' P' ' 36' ' ' LYS . 54.9 mt-10 -71.67 -59.49 2.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.747 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.472 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 23.9 pt-20 -57.73 -50.49 73.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.32 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.539 HD13 ' HD2' ' P' ' 19' ' ' TYR . 96.6 mt -58.29 -61.29 2.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 15.0 111.44 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' P' ' 40' ' ' ILE . . . -56.29 -30.52 62.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.834 0.679 . . . . 15.0 112.834 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.506 ' N ' ' HD3' ' P' ' 36' ' ' LYS . 0.2 OUTLIER -75.95 -46.36 30.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.984 0.897 . . . . 15.0 109.307 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -66.55 -48.14 70.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 113.804 -1.544 . . . . 15.0 111.328 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.59 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 50.3 m -75.5 -52.95 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.25 -0.887 . . . . 15.0 112.507 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.13 19.01 6.06 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.835 -0.697 . . . . 15.0 111.842 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.465 HD12 ' CE2' ' P' ' 8' ' ' PHE . 6.0 pt -103.15 -166.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.842 -0.429 . . . . 15.0 109.842 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.555 ' O ' ' N ' ' P' ' 44' ' ' GLN . 7.9 t -116.85 134.4 54.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.618 -0.882 . . . . 15.0 108.618 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.542 ' HA ' ' HB3' ' P' ' 31' ' ' LYS . 42.9 t -21.41 -77.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.105 0.409 . . . . 15.0 112.105 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 52.0 m -43.72 -28.33 0.4 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.835 0.68 . . . . 15.0 112.835 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' P' ' 41' ' ' THR . 3.4 tp60 -67.0 -37.43 84.18 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.294 0.569 . . . . 15.0 110.015 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.509 HG12 ' CD1' ' P' ' 49' ' ' PHE . 62.1 t -61.22 -57.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.394 -0.821 . . . . 15.0 111.029 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 77.5 p -54.52 -28.12 43.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.498 0.666 . . . . 15.0 109.901 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -51.38 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.793 -1.094 . . . . 15.0 108.751 178.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.551 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 63.1 t90 -57.59 -59.16 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.805 -1.089 . . . . 15.0 111.258 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.52 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 6.5 m-85 -47.99 -55.52 9.84 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.819 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.433 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -41.2 -50.85 4.42 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.987 -0.625 . . . . 15.0 113.301 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -64.19 -35.37 80.59 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.741 0.275 . . . . 15.0 111.741 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.551 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.0 mmmm -52.28 -47.88 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.284 0.476 . . . . 15.0 112.284 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.657 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 6.1 ptm180 -61.99 -43.16 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.078 -0.712 . . . . 15.0 109.078 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.557 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 13.7 mm -55.03 -58.11 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.408 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 56.0 ttt-85 -52.46 -33.33 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.815 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.657 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 1.8 t80 -55.61 -60.42 3.45 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.207 0.527 . . . . 15.0 110.437 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 75.1 mmtt -47.54 -18.13 0.12 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.763 1.023 . . . . 15.0 113.763 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.557 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 3.0 mptp? -74.45 -37.83 63.14 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.979 0.418 . . . . 15.0 110.319 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' P' ' 62' ' ' LYS . 44.0 m-20 -140.93 44.25 1.81 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.893 0.701 . . . . 15.0 112.893 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.495 ' HA ' ' CE1' ' P' ' 56' ' ' TYR . 47.8 mm -13.88 -69.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 114.977 1.473 . . . . 15.0 114.977 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.05 -26.03 47.94 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 113.786 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.1 tmtm? -68.33 -41.64 80.49 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.656 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 35.7 m-85 -78.17 -27.76 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.892 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -53.66 -62.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.302 -0.629 . . . . 15.0 109.302 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.47 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -51.82 -46.61 64.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.59 179.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -55.97 -51.92 65.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.739 -0.837 . . . . 15.0 108.739 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.66 -44.27 6.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.647 -1.161 . . . . 15.0 110.612 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -75.58 -31.49 59.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.654 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.47 HG13 ' O ' ' P' ' 65' ' ' GLU . 95.5 mt -66.9 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.966 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.61 -179.069 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 121.655 0.74 . . . . 15.0 109.162 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.578 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 40.3 t30 -60.24 -91.76 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.761 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.578 ' CE1' ' ND2' ' P' ' 7' ' ' ASN . 1.0 OUTLIER -72.98 112.35 8.93 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.986 -0.446 . . . . 15.0 111.578 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' P' ' 10' ' ' LYS . 0.5 OUTLIER -74.78 -176.82 2.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.206 -0.452 . . . . 15.0 109.889 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.467 ' H ' ' ND2' ' P' ' 9' ' ' ASN . 31.4 mmmt -56.51 -37.3 70.24 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.837 0.351 . . . . 15.0 111.309 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.553 ' HG3' HD11 ' P' ' 15' ' ' ILE . 4.2 tp-100 -56.25 -50.61 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.219 0.533 . . . . 15.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.561 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -64.82 -46.1 83.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.746 -0.661 . . . . 15.0 111.666 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.2 p -56.09 -53.67 54.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.979 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.535 ' HA ' ' ND2' ' P' ' 17' ' ' ASN . 14.8 pt-20 -55.67 -40.47 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 15.0 110.695 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.553 HD11 ' HG3' ' P' ' 11' ' ' GLN . 47.7 mt -72.42 -56.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.469 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 70.3 mt -57.83 -40.01 79.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.252 0.464 . . . . 15.0 112.252 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.535 ' ND2' ' HA ' ' P' ' 14' ' ' GLU . 3.8 p30 -60.37 -54.57 44.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.753 -0.379 . . . . 15.0 111.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 50.7 mm-40 -42.75 -49.51 5.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 15.0 111.727 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.449 ' CD2' HD12 ' P' ' 34' ' ' LEU . 7.9 t80 -73.54 -34.57 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.569 ' CE2' HD21 ' P' ' 23' A LEU . 36.5 t80 -55.54 -48.5 74.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 15.0 111.66 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' P' ' 67' ' ' ALA . 58.6 m-85 -66.9 14.53 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.917 0.34 . . . . 15.0 111.917 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.539 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.6 t -112.68 -24.5 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 15.0 110.208 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.423 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 52.2 m170 -122.91 34.48 5.12 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.074 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.569 HD21 ' CE2' ' P' ' 20' ' ' PHE . 0.8 OUTLIER -45.63 -58.62 3.29 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.042 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -57.84 -9.71 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.692 0.282 . . . . 15.0 111.381 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.437 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 74.6 m-80 -142.51 70.19 21.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 15.0 108.457 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.639 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 31.4 Cg_exo -63.38 56.15 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.723 2.949 . . . . 15.0 113.979 -177.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.532 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.6 p90 -154.75 120.32 2.66 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.581 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.532 ' O ' ' O ' ' P' ' 25' ' ' TYR . 10.1 Cg_endo -49.95 -150.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.242 2.628 . . . . 15.0 112.409 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.565 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 45.1 t -147.78 169.48 19.66 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.153 -1.795 . . . . 15.0 106.153 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -49.96 -53.83 23.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 118.887 0.767 . . . . 15.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.0 -31.18 69.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.559 -0.292 . . . . 15.0 110.646 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -64.64 -55.46 20.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 15.0 110.754 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.565 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -59.08 -24.57 63.03 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.121 -0.632 . . . . 15.0 110.392 178.762 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.539 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 51.3 mt-10 -75.86 -60.53 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 15.0 109.923 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.08 -48.61 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.954 -0.388 . . . . 15.0 109.954 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' P' ' 49' ' ' PHE . 95.7 mt -55.26 -61.86 2.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.712 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.428 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.19 -30.77 28.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 15.0 111.845 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.5 OUTLIER -76.04 -45.02 36.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.978 0.894 . . . . 15.0 109.495 179.163 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.44 -48.03 68.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.923 -1.49 . . . . 15.0 111.962 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.561 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 4.6 p -74.12 -50.33 19.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.579 -0.737 . . . . 15.0 112.104 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.65 22.33 5.44 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.242 -0.743 . . . . 15.0 111.242 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.508 HG12 ' OG ' ' P' ' 38' ' ' SER . 21.0 pt -109.08 -162.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.521 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -121.72 145.49 47.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.495 ' C ' ' O ' ' P' ' 41' ' ' THR . 17.5 t -27.29 -74.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.551 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -43.05 -32.56 0.69 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.437 0.902 . . . . 15.0 113.437 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.521 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.5 mm-40 -66.44 -38.13 86.72 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.519 -0.472 . . . . 15.0 110.308 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.471 HG11 HD11 ' P' ' 34' ' ' LEU . 66.1 t -57.51 -55.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.291 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -54.98 -27.27 42.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.159 0.505 . . . . 15.0 110.332 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.56 -51.46 16.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.29 178.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.484 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 53.7 t90 -57.12 -59.66 4.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.432 -0.803 . . . . 15.0 110.784 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' P' ' 34' ' ' LEU . 7.3 m-85 -48.31 -57.39 6.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.952 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.562 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.72 -35.45 7.63 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.672 -0.775 . . . . 15.0 112.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.35 -34.1 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 15.0 111.202 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.515 ' HB2' ' CE1' ' P' ' 20' ' ' PHE . 4.7 mmmp? -55.25 -47.27 75.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.419 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.639 ' HD3' ' HG2' ' P' ' 24' ' ' PRO . 17.1 ptt85 -61.91 -43.99 97.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.195 0.522 . . . . 15.0 110.102 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.562 HG12 ' O ' ' P' ' 50' ' ' GLY . 28.7 mm -56.57 -69.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.865 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 15.5 ttp-105 -49.38 -28.52 5.12 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.783 0.325 . . . . 15.0 111.049 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.714 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.1 OUTLIER -57.95 -62.75 1.59 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.205 0.526 . . . . 15.0 110.096 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.686 ' HE2' ' HA ' ' P' ' 57' ' ' LYS . 9.6 mmpt? -45.78 -18.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.395 0.887 . . . . 15.0 113.395 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.8 OUTLIER -79.92 -38.34 32.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.318 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' P' ' 62' ' ' LYS . 51.5 m-20 -134.94 41.14 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.478 HD12 ' CE1' ' P' ' 56' ' ' TYR . 28.2 mm -13.79 -72.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 114.779 1.4 . . . . 15.0 114.779 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.86 -24.22 13.03 Favored Glycine 0 C--N 1.336 0.583 0 CA-C-N 116.108 -0.496 . . . . 15.0 113.972 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' P' ' 59' ' ' ASN . 4.0 ttmp? -70.15 -36.85 75.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.952 0.406 . . . . 15.0 110.036 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.714 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 36.1 m-85 -83.09 -21.04 33.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.68 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.07 -68.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.779 -0.823 . . . . 15.0 108.779 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.464 ' O ' HG13 ' P' ' 69' ' ' ILE . 6.3 mp0 -51.18 -43.42 61.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.646 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 5.5 mm-40 -58.04 -53.01 63.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.453 0.644 . . . . 15.0 109.579 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . 0.44 ' HA ' ' CD1' ' P' ' 21' ' ' TYR . . . -43.74 -44.1 6.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.943 -1.026 . . . . 15.0 111.111 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -80.75 -26.1 37.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.632 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.464 HG13 ' O ' ' P' ' 65' ' ' GLU . 35.5 mt -67.31 -58.05 7.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.576 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.923 -178.769 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 109.075 -0.713 . . . . 15.0 109.075 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' P' ' 8' ' ' PHE . 36.0 t30 -70.77 -97.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.932 -1.031 . . . . 15.0 112.468 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.524 ' CD1' HG23 ' P' ' 40' ' ' ILE . 51.2 m-85 -59.1 110.05 0.97 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 118.372 0.533 . . . . 15.0 111.346 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.8 t-20 -66.22 165.92 12.94 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.444 -0.798 . . . . 15.0 111.188 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.498 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 31.5 mmmt -53.64 -24.8 15.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.077 0.465 . . . . 15.0 110.795 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 71.2 tp60 -72.1 -47.56 50.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.488 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.606 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.21 -44.54 95.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 15.0 111.946 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.488 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 65.2 p -54.79 -56.32 20.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.911 -0.586 . . . . 15.0 112.055 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 16.6 pt-20 -54.39 -39.77 67.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.376 0.607 . . . . 15.0 110.847 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 76.2 mt -67.05 -56.47 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.129 -0.941 . . . . 15.0 112.387 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' P' ' 12' ' ' ALA . 78.0 mt -60.72 -47.48 86.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.57 0.582 . . . . 15.0 112.57 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' P' ' 13' ' ' THR . 23.5 p30 -60.98 -52.26 65.77 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.511 -0.475 . . . . 15.0 111.331 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 46.3 mt-10 -46.52 -38.25 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 15.0 110.952 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.446 ' HD2' HD13 ' P' ' 34' ' ' LEU . 1.8 t80 -78.38 -41.98 31.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.041 0.448 . . . . 15.0 110.191 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.578 ' CE2' ' HD2' ' P' ' 52' ' ' LYS . 30.7 t80 -49.88 -51.28 41.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.004 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.529 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 63.3 m-85 -58.52 7.0 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.572 0.582 . . . . 15.0 112.572 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.567 ' H ' ' C ' ' P' ' 20' ' ' PHE . 48.8 m -109.94 -22.63 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 15.0 110.511 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' P' ' 23' C ASN . 63.4 m170 -126.44 37.6 4.28 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.342 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.613 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.3 -61.97 1.45 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.937 0.347 . . . . 15.0 111.937 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 55.7 m -58.66 -12.9 4.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.049 0.388 . . . . 15.0 112.049 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.443 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 16.4 p30 -153.36 67.18 6.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.645 -0.502 . . . . 15.0 109.645 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.667 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 15.8 Cg_exo -70.11 65.46 2.0 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.276 2.651 . . . . 15.0 112.786 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.622 ' O ' ' O ' ' P' ' 26' ' ' PRO . 0.2 OUTLIER -130.04 106.21 16.55 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.862 -0.608 . . . . 15.0 109.835 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.622 ' O ' ' O ' ' P' ' 25' ' ' TYR . 10.2 Cg_endo -49.64 -150.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.389 2.06 . . . . 15.0 111.179 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.538 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 56.0 m -159.55 168.41 26.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.564 -1.643 . . . . 15.0 106.564 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -46.86 -51.59 16.31 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.156 -0.618 . . . . 15.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -69.76 -34.72 74.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.479 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -63.79 -58.15 7.71 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 121.288 -0.165 . . . . 15.0 110.874 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.538 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -57.81 -24.0 55.26 Favored 'General case' 0 N--CA 1.461 0.079 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.082 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.516 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 39.5 mt-10 -75.82 -59.12 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.485 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.536 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.21 -50.7 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.192 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.513 HD11 ' CE1' ' P' ' 49' ' ' PHE . 97.3 mt -53.49 -60.92 2.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.985 0.421 . . . . 15.0 110.349 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.426 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.88 -31.34 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.588 . . . . 15.0 112.259 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.4 OUTLIER -76.09 -46.14 30.46 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.98 0.895 . . . . 15.0 109.54 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -67.63 -45.46 75.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.871 -1.513 . . . . 15.0 111.598 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.606 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.4 m -73.9 -52.16 13.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.313 -0.858 . . . . 15.0 112.177 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 18.76 6.02 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.144 -0.782 . . . . 15.0 111.144 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.524 HG23 ' CD1' ' P' ' 8' ' ' PHE . 18.2 pt -108.93 -161.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.49 ' CG2' ' HG3' ' P' ' 44' ' ' GLN . 9.3 t -121.8 146.2 47.31 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.462 -0.94 . . . . 15.0 108.462 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.489 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 5.1 t -28.04 -74.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 123.352 0.408 . . . . 15.0 111.681 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 50.2 m -42.65 -32.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.509 0.929 . . . . 15.0 113.509 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.49 ' HG3' ' CG2' ' P' ' 41' ' ' THR . 86.7 mt-30 -66.85 -34.25 77.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.317 -0.553 . . . . 15.0 110.367 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.541 HG13 ' CD1' ' P' ' 49' ' ' PHE . 58.6 t -62.45 -58.4 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.561 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -53.22 -27.26 21.05 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.333 0.587 . . . . 15.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -73.8 -50.91 18.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.237 -0.892 . . . . 15.0 109.258 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.468 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 79.1 t90 -57.61 -58.26 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.433 -0.803 . . . . 15.0 111.02 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.541 ' CD1' HG13 ' P' ' 45' ' ' VAL . 6.3 m-85 -48.38 -58.41 4.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.612 -0.722 . . . . 15.0 111.674 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -39.19 -56.73 2.23 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.157 -0.544 . . . . 15.0 113.578 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.33 -23.19 63.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.577 0.227 . . . . 15.0 111.508 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.578 ' HD2' ' CE2' ' P' ' 20' ' ' PHE . 0.4 OUTLIER -60.19 -45.24 93.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -179.048 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.674 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 8.6 ptm180 -68.49 -42.2 78.96 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.638 -0.505 . . . . 15.0 109.638 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.602 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 18.2 mm -54.4 -51.92 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.203 -1.036 . . . . 15.0 108.203 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.455 ' CZ ' ' HB2' ' P' ' 55' ' ' ARG . 0.2 OUTLIER -53.3 -40.17 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.731 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.674 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -49.55 -60.21 3.07 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.925 -0.58 . . . . 15.0 111.127 179.475 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.564 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 60.8 mttt -52.27 -18.38 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.352 1.242 . . . . 15.0 114.352 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.602 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 1.1 mptm? -70.11 -38.04 75.5 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' P' ' 62' ' ' LYS . 2.5 m120 -139.01 45.34 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 15.0 112.881 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.564 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.8 mm -13.9 -71.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 115.109 1.522 . . . . 15.0 115.109 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.85 -23.77 23.82 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 116.094 -0.503 . . . . 15.0 113.981 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' P' ' 59' ' ' ASN . 60.9 tttm -71.22 -40.06 71.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.058 0.456 . . . . 15.0 110.257 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.607 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 38.5 m-85 -82.6 -23.89 34.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 15.0 111.685 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -64.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.42 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.7 tp10 -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.781 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 54.6 mt-10 -58.95 -52.76 64.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.281 -0.637 . . . . 15.0 109.281 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.8 -41.18 4.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.348 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -73.29 -39.17 65.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.016 0.436 . . . . 15.0 110.084 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.42 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.7 mt -59.16 -62.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.679 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . 0.529 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.3 m-85 . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 15.0 111.483 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.024 0.44 . . . . 15.0 111.013 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.46 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 51.6 t30 -55.36 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.045 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' P' ' 48' ' ' TRP . 12.1 m-85 -62.64 107.33 0.93 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 118.784 0.72 . . . . 15.0 111.17 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.58 175.76 3.94 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.866 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.473 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.2 OUTLIER -56.51 -21.38 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.334 . . . . 15.0 111.869 -179.375 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.424 ' HG2' HD11 ' P' ' 15' ' ' ILE . 49.8 tt0 -75.29 -48.17 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 15.0 110.558 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.612 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.23 -43.02 99.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.803 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -56.7 -55.07 38.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.582 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.418 ' HA ' HD22 ' P' ' 17' ' ' ASN . 0.1 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.288 0.566 . . . . 15.0 110.648 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.424 HD11 ' HG2' ' P' ' 11' ' ' GLN . 97.5 mt -71.68 -55.77 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.868 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.548 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 74.1 mt -60.89 -43.62 98.24 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' P' ' 13' ' ' THR . 17.4 p30 -60.39 -52.87 63.4 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.257 -0.577 . . . . 15.0 111.007 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 48.1 mt-10 -44.78 -36.65 3.32 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.85 0.357 . . . . 15.0 110.826 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.511 ' HD2' HD12 ' P' ' 34' ' ' LEU . 1.7 t80 -82.9 -37.45 24.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.395 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.549 ' C ' ' H ' ' P' ' 22' ' ' SER . 27.8 t80 -51.83 -51.83 53.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.313 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.474 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 66.1 m-85 -58.0 6.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.771 -0.65 . . . . 15.0 112.675 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.549 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.9 t -110.62 -21.53 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 15.0 110.846 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' P' ' 23' C ASN . 55.4 m170 -129.54 36.29 4.12 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.342 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.634 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 6.5 mt -45.89 -64.08 0.82 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.311 0.486 . . . . 15.0 112.311 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 54.1 m -60.8 -12.65 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.432 0.53 . . . . 15.0 112.432 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.523 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 15.2 p30 -155.89 70.42 5.21 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.291 . . . . 15.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.634 ' HD3' ' O ' ' P' ' 23' A LEU . 73.4 Cg_endo -75.51 83.55 1.88 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.551 2.167 . . . . 15.0 112.879 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' P' ' 23' C ASN . 10.7 m-85 -132.19 82.69 57.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.844 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.579 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 61.0 Cg_endo -61.71 94.55 0.13 Allowed 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.955 2.436 . . . . 15.0 111.548 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.475 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 55.6 m -37.58 166.42 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.118 -0.946 . . . . 15.0 111.519 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 4.5 mm-40 -44.99 -45.34 10.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.602 -0.727 . . . . 15.0 110.694 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.79 -30.54 64.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.725 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.6 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -66.22 -56.2 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.371 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.579 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 2.5 ptmt -61.08 -23.45 65.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 15.0 110.16 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.529 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 86.3 mt-10 -75.59 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 15.0 109.202 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -57.85 -46.67 84.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' P' ' 30' ' ' ALA . 94.0 mt -55.26 -60.96 2.67 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.961 -0.563 . . . . 15.0 109.918 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.51 -31.01 44.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.686 . . . . 15.0 112.242 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.529 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.51 -46.62 31.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.92 0.867 . . . . 15.0 109.378 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -66.05 -46.86 76.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 113.912 -1.495 . . . . 15.0 111.67 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.612 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 9.0 p -74.17 -51.79 14.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.182 -0.917 . . . . 15.0 112.549 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.04 6.46 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.206 -0.758 . . . . 15.0 111.206 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.559 HG12 ' OG ' ' P' ' 38' ' ' SER . 19.0 pt -106.54 -163.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.506 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -120.66 141.93 49.93 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.557 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 28.9 t -23.72 -76.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 15.0 111.955 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 50.0 m -42.38 -30.26 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.473 0.916 . . . . 15.0 113.473 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.506 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 2.9 mm100 -66.76 -35.95 81.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-O 121.106 0.479 . . . . 15.0 110.152 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.504 HG12 HD11 ' P' ' 34' ' ' LEU . 57.9 t -61.22 -58.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.514 . . . . 15.0 110.56 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -52.95 -29.02 26.39 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.38 0.61 . . . . 15.0 109.88 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -51.82 15.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.049 -0.978 . . . . 15.0 109.355 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 38.4 t90 -57.7 -60.23 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.187 -0.915 . . . . 15.0 111.241 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' P' ' 34' ' ' LEU . 7.4 m-85 -47.95 -56.62 7.19 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.435 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.523 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.25 -45.56 6.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.542 -0.837 . . . . 15.0 112.689 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -68.95 -26.65 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.476 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 3.3 mmmp? -60.23 -47.29 86.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 15.0 111.441 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.737 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 12.0 ptt85 -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 15.0 109.794 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.523 HG12 ' O ' ' P' ' 50' ' ' GLY . 24.4 mm -55.53 -58.8 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.196 -0.668 . . . . 15.0 109.196 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.477 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 48.7 mmt-85 -49.49 -38.25 29.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.895 0.379 . . . . 15.0 111.052 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.737 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 20.3 t80 -47.2 -60.66 2.33 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.274 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.6 ' HA ' HD13 ' P' ' 60' ' ' ILE . 69.3 mmtt -45.83 -23.28 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.503 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.3 OUTLIER -86.68 -40.29 15.23 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.224 0.453 . . . . 15.0 112.224 -178.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' P' ' 60' ' ' ILE . 62.2 m-20 -137.19 30.91 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.779 1.029 . . . . 15.0 113.779 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.6 HD13 ' HA ' ' P' ' 57' ' ' LYS . 7.6 mm -13.5 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 114.583 1.327 . . . . 15.0 114.583 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.48 -20.17 3.57 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.49 -0.777 . . . . 15.0 114.562 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 63.7 tttm -75.58 -35.38 60.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.021 0.439 . . . . 15.0 110.144 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 4.5 m-30 -75.13 -32.35 61.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.232 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.18 -65.06 0.71 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.954 0.406 . . . . 15.0 110.444 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.92 -52.19 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.3 mm-40 -55.3 -54.39 44.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' P' ' 63' ' ' PHE . . . -42.99 -40.31 2.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.268 -0.878 . . . . 15.0 110.636 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.75 -35.08 78.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.179 0.514 . . . . 15.0 109.717 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' P' ' 66' ' ' GLU . 62.9 mt -71.15 -45.78 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.397 -0.82 . . . . 15.0 110.642 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.338 179.612 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 . . . . . 0 N--CA 1.467 0.405 0 N-CA-C 108.018 -1.105 . . . . 15.0 108.018 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.53 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 9.5 t30 -63.3 -92.33 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.353 -1.294 . . . . 15.0 111.81 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' P' ' 48' ' ' TRP . 33.9 m-85 -58.9 107.21 0.5 Allowed 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 121.978 -0.451 . . . . 15.0 111.472 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 171.7 6.72 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -55.78 -20.88 16.53 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 111.907 0.336 . . . . 15.0 111.907 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.574 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 38.1 tt0 -72.44 -47.39 49.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.187 0.518 . . . . 15.0 110.239 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.6 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.88 -43.3 99.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.795 -0.639 . . . . 15.0 111.543 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 62.6 p -54.34 -56.76 15.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.646 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 22.2 pt-20 -53.49 -40.79 65.62 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.181 0.515 . . . . 15.0 111.038 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.413 HD13 ' HG2' ' P' ' 11' ' ' GLN . 51.0 mt -70.31 -55.53 14.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 15.0 112.9 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.556 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 72.8 mt -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.497 0.555 . . . . 15.0 112.497 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' P' ' 13' ' ' THR . 21.2 p30 -60.61 -53.97 50.98 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.4 -0.52 . . . . 15.0 111.752 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.485 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 97.2 mt-10 -45.32 -46.0 12.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.68 0.276 . . . . 15.0 111.439 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.42 ' CD2' HD12 ' P' ' 34' ' ' LEU . 17.0 t80 -72.58 -38.23 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 15.0 110.216 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.674 ' CZ ' ' CD2' ' P' ' 23' A LEU . 0.3 OUTLIER -53.26 -50.59 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.679 178.722 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 75.0 m-85 -57.26 5.41 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.558 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.5 t -109.56 -21.46 12.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.61 0.243 . . . . 15.0 110.827 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' P' ' 23' C ASN . 63.4 m170 -126.64 37.09 4.36 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.848 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.674 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 7.0 mt -44.8 -61.25 1.66 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.866 -0.333 . . . . 15.0 111.324 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 55.0 m -57.77 -8.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.685 0.254 . . . . 15.0 111.685 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.557 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 76.7 m-20 -150.05 65.96 7.71 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 109.629 -0.508 . . . . 15.0 109.629 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.647 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 19.5 Cg_exo -69.92 50.29 0.84 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.363 2.709 . . . . 15.0 114.152 -177.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' P' ' 26' ' ' PRO . 3.0 p90 -133.05 112.03 13.27 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.564 ' O ' ' O ' ' P' ' 25' ' ' TYR . 5.9 Cg_endo -47.2 -152.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.734 . . . . 15.0 112.935 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.535 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 59.4 m -152.94 170.75 19.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 106.458 -1.682 . . . . 15.0 106.458 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -49.32 -53.0 24.24 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 118.523 0.601 . . . . 15.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.34 -33.41 73.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.667 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.453 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -63.01 -55.85 22.12 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.098 -0.241 . . . . 15.0 110.639 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.535 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -59.64 -24.11 63.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.147 -0.621 . . . . 15.0 110.344 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.523 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.7 mt-10 -75.75 -60.31 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.634 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.7 pt-20 -58.56 -48.86 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.291 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.452 HD13 ' CZ ' ' P' ' 49' ' ' PHE . 96.2 mt -55.85 -59.83 4.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.004 0.431 . . . . 15.0 110.561 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.414 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.43 -31.14 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 15.0 112.265 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.523 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.3 OUTLIER -76.08 -46.41 29.16 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 122.022 0.915 . . . . 15.0 109.266 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -67.04 -45.32 77.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.882 -1.508 . . . . 15.0 111.437 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.6 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 25.9 m -74.2 -51.46 15.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.244 -0.889 . . . . 15.0 112.233 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.91 7.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.11 -0.796 . . . . 15.0 111.11 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.506 HG23 ' CD1' ' P' ' 8' ' ' PHE . 25.1 pt -107.04 -162.55 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.518 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 8.4 t -121.27 144.18 48.76 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.519 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 9.5 t -26.73 -74.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.914 0.387 . . . . 15.0 111.689 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 52.8 m -42.56 -31.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.293 0.849 . . . . 15.0 113.293 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.518 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 86.0 mm-40 -66.69 -35.16 79.49 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.487 -0.485 . . . . 15.0 110.314 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.462 ' CG1' ' CE1' ' P' ' 49' ' ' PHE . 61.2 t -61.92 -58.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.602 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -53.55 -27.44 26.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.285 0.564 . . . . 15.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.79 -51.13 17.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.215 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 52.3 t90 -57.64 -60.63 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.218 -0.901 . . . . 15.0 111.426 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.464 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 6.2 m-85 -47.9 -57.95 5.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.843 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.46 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -39.04 -51.71 2.68 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.996 -0.621 . . . . 15.0 113.367 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.49 -25.88 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.062 0.393 . . . . 15.0 112.062 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 31.2 mmmt -58.04 -49.39 77.03 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.554 0.205 . . . . 15.0 111.554 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.827 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 11.6 ptt85 -64.24 -42.04 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 15.0 110.021 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.584 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 27.7 mm -54.62 -54.1 25.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.332 -0.618 . . . . 15.0 109.332 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.463 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 46.4 mmm-85 -53.06 -32.3 46.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.987 0.422 . . . . 15.0 110.85 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.827 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 76.7 t80 -52.27 -62.99 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.819 -0.628 . . . . 15.0 110.765 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.628 ' HA ' HD13 ' P' ' 60' ' ' ILE . 71.7 mmtt -45.89 -22.03 0.17 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.186 0.81 . . . . 15.0 113.186 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.584 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.2 OUTLIER -87.13 -35.44 18.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.86 0.362 . . . . 15.0 110.648 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.645 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.9 p30 -134.53 31.54 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.64 HD12 ' CE2' ' P' ' 56' ' ' TYR . 39.4 mm -13.37 -69.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 114.894 1.442 . . . . 15.0 114.894 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.65 -19.46 6.54 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 114.653 0.621 . . . . 15.0 114.653 -177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.645 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 59.6 tttp -69.69 -39.64 76.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.767 0.283 . . . . 15.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.768 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.3 m-85 -78.0 -24.74 47.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.517 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -57.77 -70.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.437 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -52.09 -46.86 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.78 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 53.8 mt-10 -56.33 -53.8 53.03 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.406 0.622 . . . . 15.0 109.445 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.84 -43.67 6.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.881 -1.054 . . . . 15.0 110.551 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -70.38 -33.96 72.02 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.167 0.508 . . . . 15.0 110.288 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.437 HG13 ' O ' ' P' ' 65' ' ' GLU . 97.9 mt -67.4 -61.84 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.069 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . 0.454 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 57.9 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.586 -0.733 . . . . 15.0 111.708 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.66 0.743 . . . . 15.0 109.875 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.501 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 10.3 t30 -54.25 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.234 -178.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' P' ' 48' ' ' TRP . 19.0 m-85 -62.69 107.67 1.01 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 118.921 0.782 . . . . 15.0 111.349 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -69.09 176.67 3.07 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.594 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -58.12 -19.77 35.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 15.0 111.58 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -75.53 -48.78 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.245 0.545 . . . . 15.0 110.239 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.616 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.92 -40.94 97.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.688 -0.687 . . . . 15.0 111.819 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.464 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 57.7 p -56.34 -55.31 35.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 15.0 112.036 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 17.7 pt-20 -56.23 -40.23 73.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.336 0.589 . . . . 15.0 110.833 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -67.78 -56.62 12.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.272 -0.876 . . . . 15.0 112.324 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' P' ' 12' ' ' ALA . 75.4 mt -61.46 -46.61 89.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.637 0.606 . . . . 15.0 112.637 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.6 p30 -60.85 -52.22 65.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.326 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.548 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 43.6 mt-10 -46.24 -39.05 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 15.0 111.044 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.442 ' CD2' HD13 ' P' ' 34' ' ' LEU . 1.7 t80 -77.19 -41.18 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 15.0 110.184 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.579 ' CE2' HD22 ' P' ' 23' A LEU . 5.6 t80 -51.15 -46.25 61.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 15.0 111.731 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 74.0 m-85 -65.8 11.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.933 0.345 . . . . 15.0 111.933 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.523 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.0 m -110.09 -25.49 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 15.0 110.313 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' P' ' 23' C ASN . 56.6 m170 -124.66 37.19 4.45 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.926 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.694 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.2 mt -45.51 -61.78 1.55 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.493 -0.321 . . . . 15.0 111.773 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -59.56 -14.25 12.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.426 0.528 . . . . 15.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.511 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 75.6 m-80 -161.07 69.59 2.58 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 120.633 0.254 . . . . 15.0 110.37 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.694 ' HD3' ' O ' ' P' ' 23' A LEU . 67.1 Cg_endo -74.29 80.96 2.11 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.569 2.18 . . . . 15.0 112.596 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' P' ' 23' C ASN . 10.8 m-85 -125.12 90.33 51.14 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.652 -0.704 . . . . 15.0 109.923 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.829 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.4 Cg_endo -64.19 92.08 0.18 Allowed 'Trans proline' 0 CA--C 1.51 -0.696 0 C-N-CA 122.469 2.113 . . . . 15.0 110.657 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.533 ' N ' ' HB2' ' P' ' 30' ' ' ALA . 51.4 m -39.36 166.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.274 -179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.4 mt-10 -43.99 -45.31 7.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.425 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.84 -35.23 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.533 ' HB2' ' N ' ' P' ' 27' ' ' SER . . . -63.2 -57.82 9.24 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.772 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.829 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -59.65 -22.95 62.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 15.0 110.125 178.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.538 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 34.5 mt-10 -75.82 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.132 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.07 -49.42 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.5 -0.556 . . . . 15.0 109.5 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.557 HD11 ' CE1' ' P' ' 49' ' ' PHE . 95.9 mt -52.28 -61.34 2.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.93 0.395 . . . . 15.0 110.142 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.3 -30.93 52.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.021 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.8 -44.38 41.58 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.976 0.894 . . . . 15.0 109.31 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -68.87 -45.97 69.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.884 -1.507 . . . . 15.0 111.616 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.616 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 34.6 m -73.62 -52.02 14.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.422 -0.808 . . . . 15.0 112.406 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.92 20.77 5.91 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.027 -0.829 . . . . 15.0 111.027 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.493 HG23 ' CD1' ' P' ' 8' ' ' PHE . 21.7 pt -108.05 -162.89 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.523 ' O ' ' C ' ' P' ' 42' ' ' VAL . 8.8 t -119.38 141.42 49.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.445 -0.946 . . . . 15.0 108.445 177.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.564 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 15.5 t -24.13 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.376 0.423 . . . . 15.0 111.604 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 52.6 m -42.01 -30.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.355 0.872 . . . . 15.0 113.355 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.518 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 83.5 mm-40 -66.97 -33.83 76.43 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.403 -0.519 . . . . 15.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.497 HG13 ' CD1' ' P' ' 49' ' ' PHE . 60.2 t -64.46 -60.29 2.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.559 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -51.8 -26.98 10.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.338 0.59 . . . . 15.0 110.057 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -50.58 19.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.365 178.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.539 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 74.2 t90 -57.64 -59.58 4.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.493 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' P' ' 34' ' ' LEU . 7.8 m-85 -48.14 -58.82 3.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.44 -0.8 . . . . 15.0 111.83 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.471 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -38.93 -53.4 2.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.047 -0.597 . . . . 15.0 113.307 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -74.22 -23.15 59.14 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.63 0.233 . . . . 15.0 111.63 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.469 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 53.4 tptt -59.06 -42.87 91.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 15.0 110.981 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.64 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 15.7 ptt85 -71.1 -42.3 69.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.602 -0.518 . . . . 15.0 109.602 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.606 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 37.4 mm -54.68 -52.78 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 107.746 -1.205 . . . . 15.0 107.746 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -51.35 -41.65 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.242 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.692 ' HA ' ' CE2' ' P' ' 63' ' ' PHE . 1.2 t80 -51.39 -59.92 3.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.714 -0.676 . . . . 15.0 111.013 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 75.2 mmtt -46.88 -18.17 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.944 1.09 . . . . 15.0 113.944 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.606 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 3.3 mptp? -75.6 -37.55 59.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.919 0.39 . . . . 15.0 110.363 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.6 m-80 -138.24 43.05 2.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.065 0.765 . . . . 15.0 113.065 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.508 ' HA ' ' CE1' ' P' ' 56' ' ' TYR . 49.5 mm -13.59 -71.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 115.056 1.502 . . . . 15.0 115.056 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.15 -22.61 29.7 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 116.044 -0.525 . . . . 15.0 114.308 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.2 tttm -74.02 -37.64 64.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 15.0 110.329 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.692 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 86.8 m-85 -79.83 -32.77 40.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 15.0 111.599 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -53.93 -61.66 2.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.601 -0.518 . . . . 15.0 109.601 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.471 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -52.12 -45.01 64.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.709 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.2 mt-10 -57.01 -51.62 68.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.028 -0.731 . . . . 15.0 109.028 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.44 4.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.509 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -74.93 -33.59 61.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.501 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.471 HG13 ' O ' ' P' ' 65' ' ' GLU . 81.7 mt -64.83 -55.03 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.098 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.948 0.404 . . . . 15.0 111.115 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' P' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 112.736 0.643 . . . . 15.0 112.736 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.536 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 44.0 t30 -87.13 -83.81 0.19 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.986 -1.007 . . . . 15.0 109.886 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' P' ' 48' ' ' TRP . 1.2 m-30 -85.17 117.35 24.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.882 -0.414 . . . . 15.0 109.882 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -70.93 173.89 6.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.042 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -54.92 -26.85 38.87 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.766 0.317 . . . . 15.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.546 ' HG3' HD12 ' P' ' 15' ' ' ILE . 3.9 tp-100 -68.29 -49.07 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 15.0 109.888 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.613 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.64 -48.16 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.516 -0.766 . . . . 15.0 111.351 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 73.4 p -53.16 -57.31 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 15.0 111.568 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.6 pt-20 -53.93 -40.69 66.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.276 0.56 . . . . 15.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.546 HD12 ' HG3' ' P' ' 11' ' ' GLN . 37.4 mt -67.72 -54.45 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.507 -0.77 . . . . 15.0 111.989 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.476 ' CD1' ' CD2' ' P' ' 8' ' ' PHE . 80.6 mt -63.07 -48.92 76.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.536 0.569 . . . . 15.0 112.536 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.4 p30 -60.97 -53.11 61.29 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.372 -0.531 . . . . 15.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.503 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.9 mt-10 -47.32 -37.36 10.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.742 0.306 . . . . 15.0 111.025 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.4 ' OH ' ' CE1' ' P' ' 23' ' ' HIS . 19.4 t80 -82.93 -37.69 23.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.988 0.423 . . . . 15.0 109.919 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' P' ' 23' A LEU . 25.2 t80 -49.47 -48.92 47.38 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.73 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 71.4 m-85 -59.86 7.6 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.849 -0.614 . . . . 15.0 112.485 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.548 ' H ' ' C ' ' P' ' 20' ' ' PHE . 52.5 m -113.7 -23.47 9.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.7 0.286 . . . . 15.0 110.557 179.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.443 ' HB3' ' OD1' ' P' ' 23' C ASN . 46.4 m170 -120.32 33.69 5.5 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.29 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.616 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.5 mt -47.13 -62.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.408 . . . . 15.0 111.57 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -59.23 -14.81 12.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 15.0 112.031 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.486 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 12.0 p30 -142.25 72.59 21.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.072 0.463 . . . . 15.0 110.365 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' O ' ' P' ' 23' A LEU . 45.8 Cg_endo -66.23 63.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.355 2.703 . . . . 15.0 113.713 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.486 ' CZ ' ' HB2' ' P' ' 23' C ASN . 0.1 OUTLIER -154.21 99.3 2.51 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.331 -0.618 . . . . 15.0 109.331 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.672 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 95.6 Cg_endo -71.67 116.44 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.348 2.699 . . . . 15.0 113.239 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' P' ' 30' ' ' ALA . 47.6 t -37.03 158.45 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.11 -0.95 . . . . 15.0 111.083 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.501 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -45.69 -42.7 11.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.716 -0.674 . . . . 15.0 110.82 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -75.73 -24.79 56.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.872 0.368 . . . . 15.0 110.753 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.585 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -67.85 -55.22 13.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.099 -0.5 . . . . 15.0 109.844 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.672 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -61.29 -21.74 64.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 15.0 110.205 178.477 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 89.0 mt-10 -75.43 -60.2 2.41 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 177.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.61 -46.16 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.263 -0.643 . . . . 15.0 109.263 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' P' ' 30' ' ' ALA . 96.4 mt -55.8 -61.27 2.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.11 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.54 -29.61 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 15.0 112.408 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.8 OUTLIER -75.34 -46.72 31.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.014 0.912 . . . . 15.0 108.652 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.83 -50.48 66.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.842 -1.526 . . . . 15.0 110.426 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.613 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 36.5 p -74.05 -53.0 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.904 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.32 5.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 15.0 112.169 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.54 HG12 ' OG ' ' P' ' 38' ' ' SER . 4.3 pt -101.56 -168.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.464 0.173 . . . . 15.0 110.695 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.522 ' O ' ' N ' ' P' ' 43' ' ' SER . 5.1 t -108.56 84.84 2.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.589 0.233 . . . . 15.0 110.773 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.564 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 16.4 t 19.59 -81.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 124.195 0.934 . . . . 15.0 112.066 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 43' ' ' SER . . . . . 0.522 ' N ' ' O ' ' P' ' 41' ' ' THR . 50.6 m -45.49 -23.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.336 -0.393 . . . . 15.0 111.906 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.431 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 5.2 tp60 -67.2 -36.12 81.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.534 HG11 HD11 ' P' ' 34' ' ' LEU . 60.1 t -59.06 -56.82 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.946 -1.024 . . . . 15.0 110.16 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -56.12 -27.84 55.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.468 0.651 . . . . 15.0 110.052 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' P' ' 44' ' ' GLN . 3.9 m120 -73.34 -52.13 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.829 -1.078 . . . . 15.0 109.479 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.615 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 83.8 t90 -57.95 -53.56 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.306 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.493 ' CD1' HG13 ' P' ' 45' ' ' VAL . 6.8 m-85 -47.84 -53.02 16.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.45 -0.796 . . . . 15.0 111.19 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -54.09 -33.19 50.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.983 -1.103 . . . . 15.0 111.319 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . 0.433 ' HA ' HG12 ' P' ' 54' ' ' ILE . 20.0 t-20 -77.49 -37.11 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 15.0 110.813 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.475 ' HG3' ' CD2' ' P' ' 20' ' ' PHE . 27.8 tptp -60.3 -31.38 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 15.0 111.693 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.597 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.2 ptm180 -73.71 -38.09 64.95 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.099 -0.704 . . . . 15.0 109.099 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.561 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 7.7 mm -55.07 -56.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.51 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -49.87 -39.91 40.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.893 0.377 . . . . 15.0 110.717 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.655 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -51.49 -60.6 2.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.756 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 75.0 mmtt -47.07 -19.03 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.202 1.186 . . . . 15.0 114.202 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.561 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 3.2 mptp? -75.3 -38.54 60.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.922 0.391 . . . . 15.0 110.635 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' P' ' 62' ' ' LYS . 47.5 m-20 -139.32 42.93 2.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.882 0.697 . . . . 15.0 112.882 -178.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.498 HD13 ' CZ ' ' P' ' 56' ' ' TYR . 45.2 mm -13.58 -71.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 114.914 1.45 . . . . 15.0 114.914 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.46 -25.03 26.02 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 116.153 -0.476 . . . . 15.0 113.626 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.4 tmtm? -71.19 -39.89 71.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.655 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 44.2 m-85 -79.54 -31.16 42.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 15.0 111.617 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -51.48 -64.4 0.83 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.433 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.4 tt0 -51.93 -44.07 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.616 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 55.2 mt-10 -57.04 -52.01 66.97 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.14 -40.41 3.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.759 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -73.76 -35.02 64.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 15.0 110.343 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.433 HG13 ' O ' ' P' ' 65' ' ' GLU . 77.2 mt -66.62 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.804 -0.634 . . . . 15.0 111.025 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.859 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 N--CA 1.463 0.178 0 N-CA-C 109.175 -0.676 . . . . 15.0 109.175 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 19.1 t30 -66.06 -98.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.074 -0.966 . . . . 15.0 111.195 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' P' ' 44' ' ' GLN . 12.5 m-85 -56.17 100.35 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 118.575 0.625 . . . . 15.0 111.093 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -64.79 170.76 3.9 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.453 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -52.2 -21.23 3.17 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.753 0.311 . . . . 15.0 111.482 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 50.7 tt0 -77.93 -45.43 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.138 0.494 . . . . 15.0 110.268 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.626 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.62 -43.38 97.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 15.0 112.051 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.6 p -57.6 -55.22 37.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.706 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.5 pt-20 -52.36 -40.36 61.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.449 0.642 . . . . 15.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.428 HD12 ' HG2' ' P' ' 11' ' ' GLN . 75.1 mt -69.61 -55.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 15.0 113.104 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.441 HD13 ' CG ' ' P' ' 48' ' ' TRP . 89.2 mt -60.08 -47.51 85.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.81 0.67 . . . . 15.0 112.81 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.557 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.1 p30 -60.98 -52.32 65.52 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.307 -0.557 . . . . 15.0 111.319 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 47.9 mt-10 -46.36 -39.8 10.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.751 0.31 . . . . 15.0 110.918 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.409 ' OH ' ' CE1' ' P' ' 23' ' ' HIS . 1.9 t80 -77.93 -39.96 41.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.108 0.48 . . . . 15.0 110.166 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.57 ' CE2' HD22 ' P' ' 23' A LEU . 5.6 t80 -51.83 -51.36 57.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.492 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 66.5 m-85 -59.08 5.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.487 0.551 . . . . 15.0 112.487 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.539 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.2 m -108.88 -23.64 11.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 15.0 110.53 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' P' ' 23' C ASN . 59.1 m170 -125.89 38.4 4.16 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.134 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.663 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.5 mt -45.79 -63.48 0.96 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.11 0.411 . . . . 15.0 112.11 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 56.3 m -58.99 -13.48 6.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.21 0.448 . . . . 15.0 112.21 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.49 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 15.9 p-10 -157.89 72.07 4.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.689 0.28 . . . . 15.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.663 ' HD3' ' O ' ' P' ' 23' A LEU . 58.7 Cg_endo -72.43 81.43 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.475 2.117 . . . . 15.0 112.059 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' P' ' 23' C ASN . 18.9 m-85 -128.62 89.0 50.6 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.841 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 72.2 Cg_endo -65.16 89.61 0.2 Allowed 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 122.67 2.247 . . . . 15.0 111.032 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.527 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 55.9 m -35.52 166.36 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.968 0.793 . . . . 15.0 111.609 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.2 mt-10 -44.35 -45.8 9.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.483 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -30.33 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.583 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.527 ' HB3' ' N ' ' P' ' 27' ' ' SER . . . -67.15 -57.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.217 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.841 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -60.45 -22.99 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.148 0.499 . . . . 15.0 109.795 178.473 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.536 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.0 mt-10 -75.87 -60.67 2.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.337 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.7 pt-20 -59.59 -47.58 85.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' P' ' 49' ' ' PHE . 96.5 mt -53.54 -61.5 2.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.074 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.413 ' HA ' HG13 ' P' ' 40' ' ' ILE . . . -56.21 -29.43 60.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 15.0 112.105 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.536 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -76.1 -47.14 25.61 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.107 0.956 . . . . 15.0 109.273 179.328 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -67.47 -44.62 78.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.751 -1.568 . . . . 15.0 111.389 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.626 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 46.6 m -73.89 -54.09 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.383 -0.826 . . . . 15.0 112.471 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.43 15.83 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.43 -0.668 . . . . 15.0 111.43 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.445 HG22 ' CD1' ' P' ' 8' ' ' PHE . 12.2 pt -104.4 -166.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.6 t -116.81 137.55 52.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.63 -0.878 . . . . 15.0 108.63 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.549 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 32.2 t -21.46 -78.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.066 0.395 . . . . 15.0 112.066 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 46.2 m -43.16 -29.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 15.0 112.396 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 52.1 tp60 -67.06 -37.8 84.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.134 0.492 . . . . 15.0 110.003 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' P' ' 49' ' ' PHE . 74.9 t -60.04 -55.35 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.97 -22.16 24.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.234 0.54 . . . . 15.0 110.685 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -74.05 -50.29 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.361 -0.836 . . . . 15.0 109.848 178.512 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.524 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 76.6 t90 -57.5 -63.31 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.209 -0.905 . . . . 15.0 112.213 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' P' ' 34' ' ' LEU . 47.5 m-85 -47.72 -56.7 6.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.233 -0.894 . . . . 15.0 112.303 -178.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.446 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.55 -47.65 7.22 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.557 -0.83 . . . . 15.0 112.442 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . 0.453 ' HA ' HG12 ' P' ' 54' ' ' ILE . 48.2 t30 -73.69 -30.59 62.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 15.0 111.053 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.416 ' HG3' ' CE1' ' P' ' 20' ' ' PHE . 21.4 tptm -60.26 -43.78 95.87 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.334 -0.394 . . . . 15.0 112.046 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.866 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.5 ptm180 -65.38 -40.01 92.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.094 -0.706 . . . . 15.0 109.094 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.521 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 4.5 mm -53.42 -54.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.322 -0.621 . . . . 15.0 109.322 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.474 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 67.2 mtp180 -51.55 -31.64 25.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.794 0.33 . . . . 15.0 111.257 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.866 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.4 OUTLIER -50.6 -63.46 1.12 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.637 0.732 . . . . 15.0 110.475 179.002 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.482 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 70.9 mmtt -47.54 -22.21 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.59 -1.186 . . . . 15.0 113.488 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.6 OUTLIER -77.78 -40.12 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.005 0.431 . . . . 15.0 110.55 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' P' ' 60' ' ' ILE . 59.2 m-20 -133.89 41.24 3.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.941 0.719 . . . . 15.0 112.941 -178.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.497 HD13 ' CE1' ' P' ' 56' ' ' TYR . 41.3 mm -13.8 -72.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 114.834 1.42 . . . . 15.0 114.834 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.9 45.06 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 114.543 0.577 . . . . 15.0 114.543 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.0 tttm -70.57 -41.07 72.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.26 0.552 . . . . 15.0 110.193 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.77 ' CD2' ' HA ' ' P' ' 56' ' ' TYR . 88.9 m-85 -77.35 -32.62 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.874 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -53.9 -63.77 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.871 0.367 . . . . 15.0 110.327 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.42 -44.25 62.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.769 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.85 -50.94 72.1 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.81 -42.98 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.908 -1.042 . . . . 15.0 110.536 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.36 -35.91 68.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.064 0.459 . . . . 15.0 110.387 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.22 -61.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.944 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . 0.492 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.1 m-85 . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.888 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 112.29 0.478 . . . . 15.0 112.29 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.547 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 64.6 t30 -56.14 -95.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.785 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.547 ' CE1' ' ND2' ' P' ' 7' ' ' ASN . 4.2 m-85 -67.79 107.46 2.61 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 118.696 0.68 . . . . 15.0 111.867 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.9 t-20 -63.28 167.35 5.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.619 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.493 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 64.0 mttp -56.61 -23.5 41.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.093 0.473 . . . . 15.0 110.594 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.518 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -70.82 -48.11 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.256 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.598 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.91 -36.86 82.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.417 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 75.2 p -61.31 -54.27 46.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 15.0 111.844 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 18.6 pt-20 -57.0 -44.17 82.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.313 0.578 . . . . 15.0 110.64 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 52.8 mt -59.88 -61.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.104 -0.953 . . . . 15.0 111.882 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.489 ' CB ' ' CZ3' ' P' ' 48' ' ' TRP . 55.2 mt -58.04 -45.68 86.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.458 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.478 ' HB3' ' HE1' ' P' ' 21' ' ' TYR . 42.9 m-20 -48.05 -64.73 0.71 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.77 0.319 . . . . 15.0 111.244 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' P' ' 70' ' ' TYR . 51.8 mt-10 -39.82 -42.1 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.826 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' P' ' 34' ' ' LEU . 1.9 t80 -79.74 -35.65 38.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.53 ' C ' ' H ' ' P' ' 22' ' ' SER . 19.3 t80 -53.08 -51.7 60.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.621 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.491 ' CE1' ' CD2' ' P' ' 70' ' ' TYR . 42.1 m-85 -63.97 10.64 0.05 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.315 0.487 . . . . 15.0 112.315 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.53 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.1 t -109.65 -22.96 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 15.0 110.064 178.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.488 ' HB3' ' OD1' ' P' ' 23' C ASN . 47.5 m170 -126.72 34.8 4.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.071 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.723 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.88 -61.74 1.61 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.059 0.392 . . . . 15.0 112.059 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 53.7 m -58.37 -13.45 5.36 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.847 0.314 . . . . 15.0 111.847 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.56 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 5.4 p30 -142.94 71.71 18.87 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.499 -0.926 . . . . 15.0 108.499 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.723 ' HD3' ' O ' ' P' ' 23' A LEU . 37.7 Cg_endo -70.43 67.26 2.14 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.89 2.393 . . . . 15.0 113.746 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' P' ' 23' C ASN . 8.1 p90 -153.34 120.56 2.98 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.959 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.486 ' HG3' ' CG1' ' P' ' 45' ' ' VAL . 17.9 Cg_endo -54.96 -152.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.271 2.647 . . . . 15.0 112.492 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.571 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 53.6 m -147.27 169.45 19.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.999 -1.852 . . . . 15.0 105.999 178.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -49.61 -52.47 30.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 118.965 0.802 . . . . 15.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -70.39 -30.75 67.72 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.737 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.488 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -66.39 -56.7 9.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.708 -0.224 . . . . 15.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.571 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -58.94 -24.48 62.54 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 120.113 -0.635 . . . . 15.0 110.233 178.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.548 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.5 mt-10 -76.03 -60.33 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 15.0 109.939 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.488 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.15 -48.03 81.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 15.0 110.258 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.497 HD13 ' CZ ' ' P' ' 49' ' ' PHE . 96.0 mt -56.02 -60.47 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.186 0.517 . . . . 15.0 110.569 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.11 -28.2 38.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.487 -0.779 . . . . 15.0 112.424 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.623 ' N ' ' HD3' ' P' ' 36' ' ' LYS . 0.8 OUTLIER -76.24 -45.6 32.13 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.136 0.97 . . . . 15.0 109.142 179.325 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -67.42 -48.1 68.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.593 -1.639 . . . . 15.0 111.832 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.598 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 42.7 m -74.01 -52.63 12.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.762 -0.654 . . . . 15.0 112.261 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.12 20.07 5.72 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.152 -0.779 . . . . 15.0 111.152 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.475 HD11 ' CE2' ' P' ' 8' ' ' PHE . 9.4 pt -105.15 -165.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.487 -0.561 . . . . 15.0 109.487 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.495 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.3 t -120.11 139.51 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.55 -0.908 . . . . 15.0 108.55 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.512 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 9.0 t -23.82 -75.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -44.06 -30.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.524 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 2.6 mm100 -66.83 -40.86 88.12 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.128 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' P' ' 49' ' ' PHE . 87.7 t -54.42 -54.21 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.811 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.09 -27.63 46.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.295 0.569 . . . . 15.0 110.391 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.8 -51.33 16.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.232 -0.894 . . . . 15.0 109.26 178.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.549 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 64.0 t90 -57.83 -58.15 9.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.925 -1.034 . . . . 15.0 111.717 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.497 ' CZ ' HD13 ' P' ' 34' ' ' LEU . 7.8 m-85 -47.89 -55.35 10.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.493 -0.776 . . . . 15.0 111.993 -178.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.457 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -51.42 -38.12 41.44 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.474 -0.87 . . . . 15.0 112.846 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.31 -36.09 78.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.655 0.264 . . . . 15.0 111.701 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.549 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.2 mmmt -60.13 -41.28 92.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.776 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 5.2 ptm180 -61.36 -42.36 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.423 0.63 . . . . 15.0 109.436 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.498 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 9.1 mm -54.16 -62.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.064 -177.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.547 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 42.7 mtt85 -53.41 -29.14 33.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.798 0.296 . . . . 15.0 111.798 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.776 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -52.24 -62.75 1.44 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.682 0.753 . . . . 15.0 109.82 178.202 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.513 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 72.5 mmtt -48.04 -19.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.516 -1.22 . . . . 15.0 114.04 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.547 ' HD3' ' HA ' ' P' ' 55' ' ' ARG . 0.8 OUTLIER -77.26 -39.0 49.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.041 0.448 . . . . 15.0 110.616 -179.312 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' P' ' 62' ' ' LYS . 57.2 m-20 -135.82 41.66 2.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.724 0.638 . . . . 15.0 112.724 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.513 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 43.3 mm -13.91 -71.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 114.769 1.396 . . . . 15.0 114.769 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.29 43.25 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 116.063 -0.517 . . . . 15.0 114.192 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' P' ' 62' ' ' LYS . 5.9 tmtm? -70.84 -40.93 72.11 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.378 -0.601 . . . . 15.0 109.378 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.694 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 94.3 m-85 -73.81 -35.37 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.847 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -50.94 -61.54 2.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 15.0 109.931 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.413 ' O ' HG13 ' P' ' 69' ' ' ILE . 89.1 tt0 -50.03 -44.6 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.597 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.414 ' HB3' ' CE2' ' P' ' 70' ' ' TYR . 49.8 mt-10 -56.55 -50.57 71.49 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.86 -45.88 7.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.462 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -70.51 -30.58 67.39 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.941 0.4 . . . . 15.0 110.751 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.413 HG13 ' O ' ' P' ' 65' ' ' GLU . 93.7 mt -70.85 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.038 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . 0.491 ' CD2' ' CE1' ' P' ' 21' ' ' TYR . 56.8 m-85 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.645 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . 0.4 ' NH1' ' CB ' ' P' ' 6' ' ' ARG . 2.0 ptm85 . . . . . 0 N--CA 1.463 0.199 0 N-CA-C 108.142 -1.059 . . . . 15.0 108.142 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.533 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 8.7 t30 -61.46 -92.58 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.548 -1.206 . . . . 15.0 111.472 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' P' ' 44' ' ' GLN . 34.5 m-85 -60.25 109.43 0.98 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.263 0.483 . . . . 15.0 110.73 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.77 171.08 9.75 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.4 ' HB2' ' NZ ' ' P' ' 10' ' ' LYS . 10.0 mtmp? -53.99 -24.65 17.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.702 0.287 . . . . 15.0 111.604 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 67.4 tp60 -72.35 -47.96 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.608 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.1 -44.11 97.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.566 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.475 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 72.2 p -54.24 -56.97 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.752 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.7 pt-20 -53.49 -41.63 66.44 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.411 0.624 . . . . 15.0 110.924 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.406 HD12 ' HG3' ' P' ' 11' ' ' GLN . 69.6 mt -67.14 -56.39 13.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.304 -0.862 . . . . 15.0 112.657 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' P' ' 12' ' ' ALA . 79.1 mt -60.2 -48.68 80.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.552 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.3 p30 -60.32 -53.01 62.69 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.152 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.552 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 65.1 mm-40 -44.06 -39.31 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 15.0 110.909 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.428 ' HD2' HD13 ' P' ' 34' ' ' LEU . 1.9 t80 -80.05 -39.1 30.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.76 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.605 ' CE1' HD21 ' P' ' 23' A LEU . 1.2 t80 -53.33 -51.0 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.808 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 69.6 m-85 -60.83 8.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.41 0.522 . . . . 15.0 112.41 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.551 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.9 t -105.42 -22.27 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 15.0 110.43 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' P' ' 23' C ASN . 65.7 m170 -129.4 35.29 4.26 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.283 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.688 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.5 mt -39.97 -63.05 0.64 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.074 0.398 . . . . 15.0 112.074 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 80.5 p -58.39 -9.41 1.56 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.443 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 18.1 p30 -160.51 65.74 2.36 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.943 0.402 . . . . 15.0 109.963 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.688 ' HD3' ' O ' ' P' ' 23' A LEU . 8.1 Cg_exo -72.98 67.76 4.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.0 2.467 . . . . 15.0 112.244 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.638 ' O ' ' O ' ' P' ' 26' ' ' PRO . 11.8 m-85 -124.97 103.04 30.83 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.356 -0.838 . . . . 15.0 109.545 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.638 ' O ' ' O ' ' P' ' 25' ' ' TYR . 6.7 Cg_endo -47.73 -151.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.556 2.17 . . . . 15.0 111.786 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.566 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 54.1 m -158.52 169.85 23.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 106.753 -1.573 . . . . 15.0 106.753 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 66.7 mm-40 -47.77 -51.64 21.6 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.311 -0.556 . . . . 15.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -70.14 -33.8 72.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 15.0 110.581 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.535 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -64.0 -56.96 11.27 Favored 'General case' 0 CA--C 1.523 -0.077 0 C-N-CA 121.179 -0.208 . . . . 15.0 110.84 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.566 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -58.12 -24.26 58.07 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.164 -0.614 . . . . 15.0 109.933 178.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.496 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 40.8 mt-10 -75.76 -59.95 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.669 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.535 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.5 pt-20 -58.84 -49.68 76.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.13 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' P' ' 49' ' ' PHE . 97.0 mt -55.31 -60.18 3.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.845 0.355 . . . . 15.0 110.43 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.89 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.04 -46.92 26.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 122.019 0.914 . . . . 15.0 109.256 179.322 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -67.82 -44.46 77.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 113.839 -1.528 . . . . 15.0 111.392 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.608 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 43.2 m -73.94 -52.38 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.277 -0.874 . . . . 15.0 112.289 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.65 15.56 7.41 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.256 -0.738 . . . . 15.0 111.256 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' P' ' 8' ' ' PHE . 18.4 pt -105.77 -164.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.519 ' O ' ' N ' ' P' ' 44' ' ' GLN . 8.6 t -118.39 141.26 48.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.513 ' C ' ' O ' ' P' ' 41' ' ' THR . 5.0 t -25.23 -76.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.734 0.302 . . . . 15.0 111.608 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 51.0 m -42.77 -29.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.715 0.635 . . . . 15.0 112.715 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.563 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 24.2 tp60 -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.303 0.573 . . . . 15.0 109.834 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.524 HG13 ' CD1' ' P' ' 49' ' ' PHE . 58.8 t -64.51 -58.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.92 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -52.55 -25.08 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.361 0.6 . . . . 15.0 110.142 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.73 -50.23 21.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.053 177.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.507 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 71.5 t90 -58.46 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.188 -0.915 . . . . 15.0 111.901 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.544 ' CE1' HD11 ' P' ' 34' ' ' LEU . 6.8 m-85 -48.0 -60.23 2.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.715 -0.675 . . . . 15.0 112.684 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.534 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -44.57 -46.74 8.86 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.71 -0.757 . . . . 15.0 112.926 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.38 -30.5 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.751 0.278 . . . . 15.0 111.751 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.496 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 21.7 tptm -59.98 -39.71 86.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.896 0.332 . . . . 15.0 111.896 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.655 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.9 ptm85 -70.04 -39.43 75.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.291 0.567 . . . . 15.0 109.53 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.609 ' O ' ' HD3' ' P' ' 58' ' ' LYS . 14.7 mm -54.11 -53.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.13 -0.693 . . . . 15.0 109.13 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 38.2 mmt-85 -55.63 -33.73 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.131 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.704 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.1 t80 -52.59 -59.57 4.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.156 0.503 . . . . 15.0 110.44 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.575 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 44.7 mttt -52.21 -19.79 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.995 1.109 . . . . 15.0 113.995 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.609 ' HD3' ' O ' ' P' ' 54' ' ' ILE . 3.1 mptp? -70.88 -38.81 73.08 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' P' ' 62' ' ' LYS . 58.4 m-20 -138.01 41.47 2.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.453 0.909 . . . . 15.0 113.453 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.575 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.0 mm -13.95 -70.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.402 1.26 . . . . 15.0 114.402 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.74 -25.11 35.26 Favored Glycine 0 C--N 1.335 0.521 0 CA-C-N 115.88 -0.6 . . . . 15.0 114.118 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' P' ' 59' ' ' ASN . 39.9 ttmt -72.93 -39.46 66.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.121 0.486 . . . . 15.0 110.089 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.704 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.0 m-85 -74.88 -31.7 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -56.01 -59.73 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.41 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.8 tp10 -52.92 -49.15 66.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.507 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 65.7 mm-40 -55.46 -54.52 42.79 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.07 -41.68 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -69.42 -37.36 77.42 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 15.0 110.004 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' P' ' 66' ' ' GLU . 76.5 mt -66.73 -43.3 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 15.0 110.202 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . 0.411 ' HB3' ' OE2' ' P' ' 18' ' ' GLU . 14.2 m-85 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.88 -0.6 . . . . 15.0 111.424 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 112.204 0.446 . . . . 15.0 112.204 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.546 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 65.7 t30 -55.71 -94.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.393 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' P' ' 48' ' ' TRP . 5.0 m-85 -69.21 108.51 3.67 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.672 0.669 . . . . 15.0 111.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -67.78 174.26 3.75 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 9.9 mtmp? -58.1 -17.7 19.94 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 40.1 tt0 -74.1 -48.09 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 15.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.657 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.67 -43.04 94.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.888 -0.597 . . . . 15.0 111.802 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.482 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 54.3 p -55.66 -56.25 22.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.014 -0.539 . . . . 15.0 111.737 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.3 pt-20 -54.17 -38.55 65.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.213 0.53 . . . . 15.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' P' ' 38' ' ' SER . 49.4 mt -73.27 -54.56 15.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.837 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.508 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 73.4 mt -62.26 -43.92 97.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -178.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 22.5 p30 -60.43 -53.0 62.81 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.244 -0.583 . . . . 15.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 96.8 mt-10 -46.04 -45.33 15.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 15.0 111.061 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -71.35 -41.08 70.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 15.0 110.038 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.584 ' CZ ' ' CD2' ' P' ' 23' A LEU . 0.5 OUTLIER -52.49 -49.47 64.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.992 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.4 m-85 -61.05 14.19 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.107 0.78 . . . . 15.0 113.107 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.535 ' H ' ' C ' ' P' ' 20' ' ' PHE . 80.9 p -115.96 -20.87 9.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.893 0.315 . . . . 15.0 110.903 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' P' ' 24' ' ' PRO . 60.5 m170 -129.47 34.56 4.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.624 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.584 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 1.3 mt -39.77 -58.09 1.42 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.893 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 52.3 m -64.61 -12.28 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.582 0.586 . . . . 15.0 112.582 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.514 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 45.2 t30 -165.13 60.94 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.702 0.286 . . . . 15.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.569 ' N ' ' O ' ' P' ' 23' ' ' HIS . 7.4 Cg_exo -73.36 83.72 1.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.995 2.463 . . . . 15.0 111.959 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.569 ' HD1' ' C ' ' P' ' 24' ' ' PRO . 2.5 m-30 -121.46 92.38 48.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.714 -0.847 . . . . 15.0 108.714 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.831 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.2 Cg_endo -63.73 91.12 0.16 Allowed 'Trans proline' 0 CA--C 1.509 -0.736 0 C-N-CA 122.837 2.358 . . . . 15.0 111.217 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.514 ' N ' ' HB2' ' P' ' 30' ' ' ALA . 46.7 t -41.22 168.74 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.229 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -43.91 -46.66 8.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.678 -0.692 . . . . 15.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.65 -35.55 75.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.386 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.553 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -62.89 -58.28 7.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.835 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.831 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -60.42 -22.83 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.972 0.415 . . . . 15.0 110.367 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.532 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 37.7 mt-10 -75.82 -59.58 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' P' ' 34' ' ' LEU . 16.7 pt-20 -58.64 -49.29 78.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.766 -0.457 . . . . 15.0 109.766 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' P' ' 30' ' ' ALA . 96.1 mt -52.98 -60.91 2.69 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 121.117 0.484 . . . . 15.0 109.929 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.477 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.91 -30.92 59.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.606 -0.725 . . . . 15.0 112.453 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.87 -45.38 35.88 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 122.083 0.945 . . . . 15.0 109.298 179.304 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -67.61 -46.99 70.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 113.77 -1.559 . . . . 15.0 111.712 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.657 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 61.1 m -74.13 -53.03 10.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 15.0 112.627 -178.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.14 20.67 5.13 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.202 -0.759 . . . . 15.0 111.202 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' P' ' 35' ' ' ALA . 9.7 pt -107.01 -165.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.492 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.2 t -119.85 140.02 51.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.505 -0.924 . . . . 15.0 108.505 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.594 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 10.0 t -24.36 -75.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.133 0.492 . . . . 15.0 112.202 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 49.0 m -43.07 -30.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.317 0.858 . . . . 15.0 113.317 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.544 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 2.7 mm100 -66.73 -41.0 88.6 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.4 -0.52 . . . . 15.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' P' ' 49' ' ' PHE . 79.3 t -53.73 -54.43 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.637 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.33 -28.76 55.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.228 0.537 . . . . 15.0 110.399 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.79 -51.93 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.35 -0.841 . . . . 15.0 109.622 178.858 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.6 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 54.8 t90 -56.97 -58.02 9.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.343 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.488 ' CZ ' HD12 ' P' ' 34' ' ' LEU . 7.6 m-85 -47.92 -54.69 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.165 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.481 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -50.51 -38.7 35.61 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.55 -0.833 . . . . 15.0 112.909 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . 0.411 ' HA ' HG12 ' P' ' 54' ' ' ILE . 78.4 m-20 -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.811 0.3 . . . . 15.0 111.811 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.554 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.3 mmmm -53.01 -40.06 63.57 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.904 0.335 . . . . 15.0 111.904 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.841 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.5 ptp180 -66.5 -38.96 88.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 15.0 109.167 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.556 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 13.8 mm -55.5 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.474 -0.784 . . . . 15.0 109.049 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 27.2 mmm180 -49.64 -32.48 13.17 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.088 0.47 . . . . 15.0 110.603 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.841 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 68.9 t80 -53.73 -62.73 1.46 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.365 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.605 ' HA ' HD13 ' P' ' 60' ' ' ILE . 72.4 mmtt -45.67 -21.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.402 0.89 . . . . 15.0 113.402 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.556 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.3 OUTLIER -87.31 -36.1 18.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 15.0 110.865 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.632 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.1 p30 -134.93 30.2 3.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.846 1.054 . . . . 15.0 113.846 -176.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.605 HD13 ' HA ' ' P' ' 57' ' ' LYS . 38.3 mm -13.37 -68.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 114.818 1.414 . . . . 15.0 114.818 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.31 -21.87 9.36 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 114.365 0.506 . . . . 15.0 114.365 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.632 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 1.5 tmtp? -69.59 -39.12 77.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.698 0.285 . . . . 15.0 110.719 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.717 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.6 m-85 -77.52 -24.0 50.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -62.48 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.722 -0.391 . . . . 15.0 110.281 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.453 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.0 tt0 -51.28 -48.22 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 15.0 110.252 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 64.1 mm-40 -59.35 -51.86 68.12 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.408 -0.59 . . . . 15.0 109.408 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' P' ' 63' ' ' PHE . . . -43.79 -42.43 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.131 -0.941 . . . . 15.0 110.135 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.46 -38.43 77.75 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 121.111 0.481 . . . . 15.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.453 HG13 ' O ' ' P' ' 65' ' ' GLU . 78.2 mt -63.44 -46.67 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.788 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.572 179.82 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 108.211 -1.033 . . . . 15.0 108.211 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 9.7 t30 -64.29 -93.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.2 -1.364 . . . . 15.0 112.616 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.555 ' CE2' ' ND2' ' P' ' 7' ' ' ASN . 49.2 m-85 -61.04 109.04 0.97 Allowed 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 121.995 -0.441 . . . . 15.0 111.139 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -69.0 175.46 3.71 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.329 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -59.47 -15.11 15.45 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.201 0.445 . . . . 15.0 112.201 -179.06 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.7 tp-100 -78.63 -47.36 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.252 0.549 . . . . 15.0 110.073 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.619 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.12 -42.77 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.566 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.0 p -54.98 -56.08 23.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.655 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.0 pt-20 -54.46 -38.83 66.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.22 0.534 . . . . 15.0 110.992 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 67.2 mt -71.61 -54.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 15.0 112.534 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' P' ' 12' ' ' ALA . 76.6 mt -61.36 -46.4 90.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.237 0.458 . . . . 15.0 112.237 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -61.28 -52.4 64.89 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.465 -0.494 . . . . 15.0 111.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.2 mt-10 -47.95 -39.16 18.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 15.0 111.032 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.407 ' CD2' HD21 ' P' ' 34' ' ' LEU . 14.9 t80 -79.57 -38.43 34.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.595 ' CZ ' ' CD2' ' P' ' 23' A LEU . 21.4 t80 -51.18 -49.53 60.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.491 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.474 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 61.5 m-85 -61.48 9.12 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.3 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.548 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.8 t -111.93 -24.74 9.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 15.0 110.512 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' P' ' 24' ' ' PRO . 54.1 m170 -123.06 35.53 4.85 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.814 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.595 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.3 mt -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.825 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.7 t -59.69 -18.15 40.04 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.124 0.416 . . . . 15.0 112.124 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.466 ' HB2' ' CE2' ' P' ' 25' ' ' TYR . 17.7 p30 -155.59 66.74 4.73 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 15.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.59 ' HD3' ' O ' ' P' ' 23' A LEU . 17.4 Cg_exo -68.18 87.87 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.887 2.391 . . . . 15.0 112.089 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' P' ' 23' C ASN . 15.8 m-85 -132.99 86.26 43.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.795 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.665 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.5 Cg_endo -64.05 86.14 0.15 Allowed 'Trans proline' 0 CA--C 1.51 -0.684 0 C-N-CA 122.388 2.059 . . . . 15.0 110.35 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.563 ' N ' ' HB2' ' P' ' 30' ' ' ALA . 44.1 t -39.88 168.91 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.464 -0.789 . . . . 15.0 111.368 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -44.14 -46.89 8.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.302 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -70.43 -32.85 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.721 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.563 ' HB2' ' N ' ' P' ' 27' ' ' SER . . . -67.26 -58.24 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 15.0 110.545 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.665 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 3.2 ptmt -59.39 -23.97 63.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.043 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.528 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.4 mt-10 -75.51 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.8 pt-20 -58.17 -48.85 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.188 -0.671 . . . . 15.0 109.188 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' P' ' 30' ' ' ALA . 96.0 mt -53.07 -61.75 2.1 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 15.0 109.98 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.443 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.75 -31.6 49.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 15.0 112.078 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.96 -44.57 39.23 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.967 0.889 . . . . 15.0 109.254 179.483 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -68.03 -46.61 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 113.89 -1.505 . . . . 15.0 111.449 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.619 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.4 m -73.65 -52.47 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.375 -0.83 . . . . 15.0 112.222 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.75 21.93 5.21 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.933 -0.867 . . . . 15.0 110.933 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.537 HG21 ' CD1' ' P' ' 8' ' ' PHE . 14.6 pt -109.76 -162.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.503 ' O ' ' C ' ' P' ' 42' ' ' VAL . 11.1 t -120.92 143.37 49.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.556 -0.905 . . . . 15.0 108.556 177.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.57 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 24.0 t -26.0 -75.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.454 0.471 . . . . 15.0 111.643 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 53.0 m -42.6 -31.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.415 0.894 . . . . 15.0 113.415 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.479 ' HG3' ' CG2' ' P' ' 41' ' ' THR . 85.8 mt-30 -67.04 -35.91 80.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.422 -0.511 . . . . 15.0 110.238 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.512 HG13 ' CD1' ' P' ' 34' ' ' LEU . 59.1 t -61.93 -58.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.458 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -54.37 -26.56 30.85 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.337 0.589 . . . . 15.0 110.028 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -51.03 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.207 -0.906 . . . . 15.0 109.151 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.471 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 70.9 t90 -57.29 -59.92 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.849 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.527 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 7.7 m-85 -48.44 -55.66 10.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.536 -0.756 . . . . 15.0 110.618 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.503 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -33.6 -65.65 0.29 Allowed Glycine 0 CA--C 1.519 0.322 0 CA-C-N 116.09 -0.504 . . . . 15.0 113.229 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -71.81 -18.48 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.882 0.327 . . . . 15.0 111.882 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.522 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 54.6 tptt -58.76 -41.91 87.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.635 0.255 . . . . 15.0 111.191 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.584 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.3 ptt-85 -76.1 -40.42 53.04 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.998 -0.742 . . . . 15.0 108.998 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.602 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 17.9 mm -54.72 -53.28 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 N-CA-C 107.323 -1.362 . . . . 15.0 107.323 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.425 ' CA ' ' HD3' ' P' ' 58' ' ' LYS . 0.0 OUTLIER -51.6 -44.13 62.73 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.514 -0.766 . . . . 15.0 109.745 177.651 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.591 ' HA ' ' CZ ' ' P' ' 63' ' ' PHE . 1.2 t80 -48.91 -57.26 6.72 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.992 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.551 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 77.8 mttt -52.29 -18.0 1.38 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.198 1.185 . . . . 15.0 114.198 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.602 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.9 OUTLIER -69.12 -36.89 78.0 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.888 -0.782 . . . . 15.0 108.888 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' P' ' 62' ' ' LYS . 38.0 m-80 -140.54 46.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.397 -0.819 . . . . 15.0 113.176 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.551 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 48.4 mm -13.79 -71.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 115.079 1.511 . . . . 15.0 115.079 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.76 -26.19 57.18 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 116.048 -0.524 . . . . 15.0 114.236 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' P' ' 59' ' ' ASN . 1.2 tmtp? -66.14 -39.76 90.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.951 0.405 . . . . 15.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.591 ' CZ ' ' HA ' ' P' ' 56' ' ' TYR . 31.5 m-85 -79.66 -21.46 44.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.293 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -60.81 -58.8 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.426 ' O ' HG13 ' P' ' 69' ' ' ILE . 40.9 tp10 -52.42 -49.01 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 15.0 109.811 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' P' ' 69' ' ' ILE . 65.5 mm-40 -57.4 -51.91 67.51 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.049 -0.723 . . . . 15.0 109.049 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.34 -41.79 4.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.888 -1.051 . . . . 15.0 110.491 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -72.51 -35.63 68.15 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.943 0.402 . . . . 15.0 110.412 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.426 HG13 ' O ' ' P' ' 65' ' ' GLU . 75.7 mt -64.48 -55.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.565 . . . . 15.0 110.975 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . 0.44 ' CG ' ' CE2' ' P' ' 21' ' ' TYR . 32.6 m-85 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 . . . . . 0 N--CA 1.467 0.396 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -56.6 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.525 -1.216 . . . . 15.0 111.986 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' P' ' 48' ' ' TRP . 0.4 OUTLIER -69.75 107.68 3.59 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.867 0.365 . . . . 15.0 111.982 -178.509 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -71.12 -178.73 2.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.025 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -59.5 -16.01 21.61 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.363 0.505 . . . . 15.0 112.363 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . 0.568 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.5 tp-100 -78.56 -47.7 16.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.263 0.554 . . . . 15.0 110.403 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 12' ' ' ALA . . . . . 0.622 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.9 -39.7 93.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.676 -0.693 . . . . 15.0 111.73 -179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 13' ' ' THR . . . . . 0.486 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -59.11 -54.39 47.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.11 -0.495 . . . . 15.0 111.67 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 14' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.2 pt-20 -54.7 -37.63 66.05 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.25 0.547 . . . . 15.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 68.2 mt -72.92 -55.46 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.948 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . 0.51 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 71.5 mt -61.63 -43.08 99.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.849 0.685 . . . . 15.0 112.849 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 17' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.2 p30 -60.83 -52.25 65.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.259 -0.577 . . . . 15.0 111.029 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . 0.501 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 51.6 mt-10 -47.11 -36.29 8.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.508 -0.315 . . . . 15.0 111.413 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 19' ' ' TYR . . . . . 0.446 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.7 t80 -80.75 -44.53 18.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 15.0 110.796 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . 0.586 ' C ' ' H ' ' P' ' 22' ' ' SER . 3.4 t80 -49.41 -45.67 46.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.238 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . 0.521 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.4 m-85 -59.67 12.32 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.534 0.568 . . . . 15.0 112.534 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 22' ' ' SER . . . . . 0.586 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.1 m -116.74 -21.05 9.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.34 . . . . 15.0 110.552 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 23' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' P' ' 24' ' ' PRO . 52.8 m170 -122.88 34.39 5.15 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.168 -0.469 . . . . 15.0 110.703 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 23' A LEU . . . . . 0.546 ' CD2' ' CE1' ' P' ' 20' ' ' PHE . 2.1 mt -45.19 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.883 0.697 . . . . 15.0 112.883 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.5 t -74.69 14.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.525 0.565 . . . . 15.0 112.525 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 23' C ASN . . . . . 0.605 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 20.1 p30 -173.5 56.07 0.19 Allowed Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 24' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' P' ' 23' C ASN . 7.0 Cg_exo -74.74 100.37 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.871 2.38 . . . . 15.0 115.094 -177.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.6 OUTLIER -154.75 98.89 2.43 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.761 -1.109 . . . . 15.0 109.509 176.131 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . 0.803 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 78.2 Cg_endo -65.88 105.08 0.76 Allowed 'Trans proline' 0 CA--C 1.514 -0.512 0 C-N-CA 123.109 2.54 . . . . 15.0 112.135 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 27' ' ' SER . . . . . 0.469 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 56.1 m -42.17 162.51 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.548 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 28' ' ' GLU . . . . . 0.655 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -43.36 -44.42 5.61 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.114 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.99 -32.27 69.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.927 0.394 . . . . 15.0 110.344 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -62.51 -57.14 12.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.99 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 31' ' ' LYS . . . . . 0.803 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -58.36 -23.13 55.93 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 120.52 -0.472 . . . . 15.0 110.313 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . 0.528 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 44.4 mt-10 -75.56 -59.18 2.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.242 -0.651 . . . . 15.0 109.242 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . 0.474 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.5 pt-20 -58.48 -50.2 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.933 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.529 HD13 HG13 ' P' ' 45' ' ' VAL . 96.5 mt -53.31 -62.17 1.83 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.98 0.419 . . . . 15.0 110.284 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.66 -31.78 38.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 15.0 112.029 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 36' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -76.01 -43.89 42.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.946 0.879 . . . . 15.0 109.408 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -68.41 -48.38 64.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.039 -1.437 . . . . 15.0 111.619 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 38' ' ' SER . . . . . 0.622 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.1 m -73.59 -52.17 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.44 -0.8 . . . . 15.0 112.148 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.19 23.37 4.89 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.134 -0.786 . . . . 15.0 111.134 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 40' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' P' ' 35' ' ' ALA . 17.2 pt -109.26 -162.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.508 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -120.47 142.01 49.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.326 -0.99 . . . . 15.0 108.326 177.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 42' ' ' VAL . . . . . 0.549 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 7.2 t -25.49 -75.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.842 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -42.43 -31.26 0.4 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.372 0.879 . . . . 15.0 113.372 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 2.8 mm100 -66.51 -36.18 82.08 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.457 -0.497 . . . . 15.0 110.288 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . 0.529 HG13 HD13 ' P' ' 34' ' ' LEU . 59.7 t -60.77 -57.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.574 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -54.7 -28.87 50.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.297 0.57 . . . . 15.0 110.277 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.66 -51.74 15.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.11 178.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 57.4 t90 -56.99 -58.8 6.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.956 -1.02 . . . . 15.0 110.603 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . 0.484 ' CE1' HD12 ' P' ' 34' ' ' LEU . 6.7 m-85 -48.4 -54.96 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.588 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 50' ' ' GLY . . . . . 0.455 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -33.41 -62.43 0.39 Allowed Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.976 -0.557 . . . . 15.0 113.952 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' P' ' 48' ' ' TRP . 9.3 p-10 -67.73 -17.17 64.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.83 0.678 . . . . 15.0 112.83 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 52' ' ' LYS . . . . . 0.503 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.6 mmmt -60.16 -51.23 70.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.217 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . 0.719 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.5 ptt-85 -65.74 -41.87 91.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 54' ' ' ILE . . . . . 0.504 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 27.1 mm -54.62 -55.86 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.205 -0.665 . . . . 15.0 109.205 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 55' ' ' ARG . . . . . 0.458 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 14.0 mmt85 -55.63 -33.15 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.682 0.277 . . . . 15.0 110.963 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 56' ' ' TYR . . . . . 0.719 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 5.2 t80 -49.69 -57.78 6.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.322 0.582 . . . . 15.0 110.149 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 57' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 34.2 mttt -52.67 -21.58 4.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 58' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 2.2 mptp? -72.31 -39.82 67.94 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.384 -0.599 . . . . 15.0 109.384 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.6 m-20 -136.43 43.6 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.481 -0.781 . . . . 15.0 113.063 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 60' ' ' ILE . . . . . 0.57 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 35.3 mm -13.51 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 115.093 1.516 . . . . 15.0 115.093 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.88 -24.47 54.03 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-N 115.867 -0.606 . . . . 15.0 114.465 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 62' ' ' LYS . . . . . 0.438 ' HD3' ' O ' ' P' ' 62' ' ' LYS . 7.5 tmtm? -65.72 -40.38 92.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.151 0.501 . . . . 15.0 109.91 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 63' ' ' PHE . . . . . 0.7 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 31.0 m-85 -79.94 -24.42 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.798 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -55.07 -65.19 0.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 65' ' ' GLU . . . . . 0.442 ' O ' HG13 ' P' ' 69' ' ' ILE . 41.6 tp10 -52.25 -45.77 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.627 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.7 -53.81 52.01 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.89 -43.57 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.704 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.96 -33.79 66.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.028 0.442 . . . . 15.0 110.422 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 69' ' ' ILE . . . . . 0.442 HG13 ' O ' ' P' ' 65' ' ' GLU . 96.9 mt -64.95 -62.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.923 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 70' ' ' TYR . . . . . 0.521 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 65.4 m-85 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.419 -0.81 . . . . 15.0 111.514 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.519 " O5'" ' C8 ' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.926 0 C4'-C3'-C2' 104.884 1.684 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.806 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.921 1.656 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.806 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C3'-C2'-C1' 101.623 -0.769 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.694 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C3'-C2'-C1' 101.948 -0.537 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.694 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C1'-O4'-C4' 110.205 0.361 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.534 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C3'-C2'-C1' 100.851 -1.32 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.993 " H1'" ' O ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 105.464 1.974 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.988 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 107.466 1.242 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.79 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.729 0 C3'-C2'-C1' 99.706 -2.139 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.79 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.754 0 C3'-C2'-C1' 104.688 1.42 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.536 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 104.189 0.989 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.851 " H1'" " O5'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.092 0.902 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.851 " O5'" " H1'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 N19-C1'-C2' 115.109 0.568 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.834 " O5'" H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.253 0.395 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.57 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 O4'-C1'-C2' 106.707 0.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.57 ' N3 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 106.664 0.512 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.821 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C2'-C3'-O3' 113.68 1.141 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.828 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C2'-C3'-O3' 113.376 1.028 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.828 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 C3'-C2'-C1' 101.858 -0.601 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.678 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C4'-C3'-C2' 100.929 -2.271 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.711 H2'' ' OP2' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.534 0.927 0 C2'-C3'-O3' 114.292 1.368 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.711 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.434 -1.115 0 O4'-C1'-C2' 107.902 1.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.804 ' C8 ' ' H71' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.359 -0.841 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 1.01 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.901 0 O4'-C1'-N19 109.324 1.904 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.704 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.519 -0.884 0 O4'-C4'-C3' 103.721 -1.879 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.706 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.438 0.576 0 O4'-C1'-C2' 107.807 1.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.637 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 106.227 0.627 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.504 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C3'-C2'-C1' 102.112 -0.42 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.805 0.336 . . . . 15.0 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.452 ' HB1' " H3'" ' B' ' 24' ' ' ' DT' . . . 77.14 178.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.827 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.464 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 98.6 mtt180 -50.56 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 15.0 111.288 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.543 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -175.37 171.13 2.93 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.551 0.574 . . . . 15.0 112.551 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 1.01 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.44 -49.91 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.748 178.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.787 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 12.9 mtp-105 -161.39 -100.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.612 -0.722 . . . . 15.0 109.387 -178.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 48.36 -48.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.802 1.038 . . . . 15.0 113.802 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.719 ' N ' ' O ' ' P' ' 5' ' ' ARG . 35.2 t30 -55.27 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.908 0.336 . . . . 15.0 111.908 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.522 ' CD1' HG23 ' P' ' 40' ' ' ILE . 30.0 m-85 -57.0 100.49 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 118.55 0.614 . . . . 15.0 111.699 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -68.35 176.41 2.82 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.765 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' P' ' 10' ' ' LYS . 1.0 OUTLIER -55.72 -20.13 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.957 0.355 . . . . 15.0 111.957 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.567 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.5 tp-100 -75.29 -47.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 15.0 110.806 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.602 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.82 -41.71 97.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.886 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -56.24 -55.04 38.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 15.0 111.49 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 23.1 pt-20 -54.99 -40.55 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 15.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' P' ' 11' ' ' GLN . 46.7 mt -72.72 -55.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.307 0.854 . . . . 15.0 113.307 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.528 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 67.3 mt -59.32 -42.98 92.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 7.0 p30 -60.6 -53.36 58.36 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.504 -0.479 . . . . 15.0 111.162 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 49.7 mt-10 -46.45 -43.65 16.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.467 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.401 ' OH ' ' CE1' ' P' ' 23' ' ' HIS . 15.7 t80 -76.89 -38.29 53.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 15.0 110.203 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.589 ' CZ ' ' CD2' ' P' ' 23' A LEU . 0.5 OUTLIER -52.19 -48.57 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.009 178.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.455 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 64.5 m-85 -63.66 11.02 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.506 ' H ' ' C ' ' P' ' 20' ' ' PHE . 60.0 p -114.17 -23.22 9.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.752 0.31 . . . . 15.0 110.325 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.401 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 47.8 m170 -121.85 34.68 5.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.115 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.589 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 6.5 mt -46.42 -56.79 5.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.81 0.338 . . . . 15.0 110.555 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 53.9 m -58.21 -7.54 0.86 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.347 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.408 ' H ' ' C ' ' P' ' 23' A LEU . 74.7 m-80 -142.53 75.13 19.26 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 108.611 -0.885 . . . . 15.0 108.611 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.514 ' HD3' ' O ' ' P' ' 23' A LEU . 33.3 Cg_endo -63.88 48.93 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.604 2.869 . . . . 15.0 114.253 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.2 p90 -154.8 122.53 2.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.658 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.509 ' O ' ' O ' ' P' ' 25' ' ' TYR . 11.8 Cg_endo -51.45 -150.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.212 2.608 . . . . 15.0 112.105 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.571 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 51.5 m -145.82 168.82 19.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.361 -1.718 . . . . 15.0 106.361 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 24.3 pt-20 -50.26 -52.45 36.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 118.906 0.776 . . . . 15.0 110.968 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.78 -29.78 66.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.978 -0.289 . . . . 15.0 110.598 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -65.51 -55.62 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.608 -0.269 . . . . 15.0 110.662 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.571 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -59.18 -23.4 62.2 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.186 -0.606 . . . . 15.0 110.202 178.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.531 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 94.2 mt-10 -75.75 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.87 -0.605 . . . . 15.0 109.823 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.58 -48.77 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.127 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.483 HD11 HG13 ' P' ' 45' ' ' VAL . 96.1 mt -54.71 -61.36 2.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.106 0.479 . . . . 15.0 110.598 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.423 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.02 -30.34 59.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 15.0 112.139 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.531 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.4 OUTLIER -76.37 -46.32 27.94 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 122.123 0.963 . . . . 15.0 109.362 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.95 -46.69 73.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 113.715 -1.584 . . . . 15.0 111.712 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.602 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.5 m -73.94 -52.35 13.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.55 -0.75 . . . . 15.0 112.154 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.85 19.33 5.68 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.15 -0.78 . . . . 15.0 111.15 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.522 HG23 ' CD1' ' P' ' 8' ' ' PHE . 17.8 pt -107.59 -163.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.628 -0.508 . . . . 15.0 109.628 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.478 ' O ' ' C ' ' P' ' 42' ' ' VAL . 10.4 t -121.15 143.34 49.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.569 -0.9 . . . . 15.0 108.569 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.488 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 16.5 t -26.38 -74.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 123.475 0.485 . . . . 15.0 112.039 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 54.5 m -44.02 -31.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.506 ' HB3' ' CE1' ' P' ' 8' ' ' PHE . 25.8 mt-30 -67.44 -37.73 83.44 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.242 -0.583 . . . . 15.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.483 HG13 HD11 ' P' ' 34' ' ' LEU . 67.2 t -56.3 -54.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.56 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.97 -27.52 53.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.238 0.542 . . . . 15.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -51.95 15.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.275 -0.875 . . . . 15.0 109.293 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 66.4 t90 -57.26 -56.41 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.224 -0.898 . . . . 15.0 111.224 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.478 ' CD1' HG12 ' P' ' 45' ' ' VAL . 6.5 m-85 -48.0 -55.9 8.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.77 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.53 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -47.15 -38.7 11.81 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.814 -0.708 . . . . 15.0 113.221 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -71.98 -32.14 66.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.957 0.354 . . . . 15.0 111.957 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.578 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 13.4 mmmm -59.75 -45.68 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.769 0.285 . . . . 15.0 111.769 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.658 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 2.1 ptm85 -60.63 -44.93 95.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.252 0.549 . . . . 15.0 109.723 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.542 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 12.1 mm -55.68 -62.0 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.373 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 44.5 ttp180 -49.72 -31.97 12.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.795 0.331 . . . . 15.0 110.544 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.732 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -57.11 -60.09 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.15 0.5 . . . . 15.0 110.46 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' P' ' 57' ' ' LYS . 10.8 mmpt? -46.27 -17.41 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.426 0.899 . . . . 15.0 113.426 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.542 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.8 OUTLIER -81.09 -38.59 27.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.645 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' P' ' 62' ' ' LYS . 3.4 m120 -135.53 41.62 2.74 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.795 0.665 . . . . 15.0 112.795 -178.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.461 ' HA ' ' CE1' ' P' ' 56' ' ' TYR . 40.7 mm -13.86 -72.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 114.905 1.446 . . . . 15.0 114.905 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.58 -23.19 13.19 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-N 116.069 -0.514 . . . . 15.0 114.1 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.3 tttm -74.21 -38.79 63.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.261 0.553 . . . . 15.0 109.988 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.732 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.5 m-85 -80.23 -29.09 38.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.401 -0.818 . . . . 15.0 111.581 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -56.97 -65.83 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.425 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -51.57 -42.56 61.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.756 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.0 mt-10 -59.31 -51.23 70.82 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.044 -0.724 . . . . 15.0 109.044 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' P' ' 71' ' ' ALA . . . -43.72 -41.39 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.878 -1.055 . . . . 15.0 110.399 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.996 0.427 . . . . 15.0 110.336 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.425 HG13 ' O ' ' P' ' 65' ' ' GLU . 91.1 mt -62.27 -60.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.624 . . . . 15.0 110.828 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.455 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 56.3 m-85 -66.45 -32.08 73.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.451 -0.795 . . . . 15.0 111.59 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' P' ' 67' ' ' ALA . . . -56.91 -56.62 19.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.561 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.32 -25.29 14.39 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.044 0.387 . . . . 15.0 112.044 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 0.4 OUTLIER -99.24 40.56 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.679 0.276 . . . . 15.0 111.729 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' P' ' 71' ' ' ALA . 39.5 p -90.58 -19.31 23.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.582 -0.281 . . . . 15.0 111.154 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.86 4.03 20.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.48 -0.327 . . . . 15.0 111.812 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 10.2 p -83.86 130.8 35.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.734 0.302 . . . . 15.0 111.189 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 81.7 p 53.29 96.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.185 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.225 -0.893 . . . . 15.0 111.159 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.545 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.526 0.838 0 C4'-C3'-C2' 104.888 1.688 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.621 " H1'" " O4'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.858 1.599 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.621 " O4'" " H1'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 101.648 -0.752 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.529 ' C6 ' H2'' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C4'-C3' 106.175 0.575 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.61 ' C2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C1'-O4'-C4' 107.848 -1.323 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.453 ' C2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C3'-C2'-C1' 100.537 -1.545 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.641 ' N2 ' ' C2 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O4'-C1'-N19 108.457 0.821 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.641 ' C2 ' ' N2 ' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.339 1.126 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.918 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 99.45 -2.322 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.918 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.79 0 C3'-C2'-C1' 104.648 1.391 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.459 H2'' ' C5 ' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 103.974 0.774 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.835 " H1'" " O5'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.432 0.79 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.835 " O5'" " H1'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 107.527 1.297 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.656 " O5'" " H4'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C4'-C3'-C2' 104.425 1.225 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.61 ' N2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O5'-C5'-C4' 110.945 0.532 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.61 ' N3 ' ' N2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 101.538 -0.83 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.649 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C3'-C2'-C1' 104.613 1.367 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.838 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.409 -0.869 0 C4'-C3'-C2' 104.999 1.799 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.838 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C4'-C3'-C2' 103.74 0.54 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.647 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C4'-C3'-C2' 101.086 -2.114 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.688 H2'' ' OP2' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.444 0.994 0 C2'-C3'-O3' 114.229 1.344 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.713 H2'' " O4'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.437 -0.805 0 C3'-C2'-C1' 105.047 1.676 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.766 " O3'" ' HA ' ' P' ' 2' ' ' ARG . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 O4'-C1'-N19 108.852 1.316 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.85 " H5'" ' O ' ' P' ' 2' ' ' ARG . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 O4'-C1'-N19 109.206 1.758 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.772 H5'' ' O ' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C4'-C3' 104.254 -1.346 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.746 " O4'" " H5'" ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.602 0 C3'-C2'-C1' 104.993 1.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.746 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 106.141 0.541 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.531 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C4'-C3' 106.155 0.555 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 0' ' ' MET . . . . . 0.614 ' O ' " H1'" ' A' ' 9' ' ' ' DT' . 25.3 ptt? . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.662 0.267 . . . . 15.0 111.501 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' P' ' 3' ' ' ARG . . . -167.57 26.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.441 -0.345 . . . . 15.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.85 ' O ' " H5'" ' B' ' 24' ' ' ' DT' . 32.9 mmm-85 -63.38 37.04 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.253 0.834 . . . . 15.0 113.253 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.605 ' CZ ' " H5'" ' A' ' 9' ' ' ' DT' . 0.0 OUTLIER -177.02 -175.42 0.59 Allowed 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 122.164 -0.335 . . . . 15.0 110.931 179.61 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.748 ' CB ' ' H2 ' ' B' ' 23' ' ' ' DA' . 0.0 OUTLIER -178.92 -41.25 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.684 0.624 . . . . 15.0 112.684 177.337 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.772 ' O ' H5'' ' B' ' 25' ' ' ' DG' . 7.1 ptm180 -148.55 141.21 24.5 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.142 0.496 . . . . 15.0 111.521 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.504 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 7.7 ptm180 155.94 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.883 -1.053 . . . . 15.0 108.898 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.484 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 8.2 t30 -67.61 -83.62 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.953 -1.021 . . . . 15.0 111.957 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.484 ' CZ ' ' ND2' ' P' ' 7' ' ' ASN . 0.2 OUTLIER -69.26 114.41 7.49 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 122.084 -0.385 . . . . 15.0 110.422 -179.4 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -73.11 176.9 5.41 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -54.96 -20.98 10.27 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.695 0.258 . . . . 15.0 111.695 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.8 tp-100 -78.28 -48.31 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 15.0 110.59 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.07 -42.37 99.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.289 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 81.5 p -56.53 -55.29 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.865 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.6 pt-20 -56.47 -43.13 79.28 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.356 0.598 . . . . 15.0 110.644 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.46 HD13 ' O ' ' P' ' 11' ' ' GLN . 53.5 mt -60.95 -59.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 15.0 111.808 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.506 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 57.7 mt -58.66 -46.76 86.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.358 -0.383 . . . . 15.0 110.592 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.525 ' HB3' ' HE2' ' P' ' 21' ' ' TYR . 50.9 m-20 -50.62 -63.24 1.19 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.668 0.27 . . . . 15.0 111.569 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' P' ' 14' ' ' GLU . 97.2 mt-10 -41.1 -50.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.18 -0.463 . . . . 15.0 111.498 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.422 ' CD2' HD13 ' P' ' 34' ' ' LEU . 2.0 t80 -65.19 -43.44 91.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 15.0 111.037 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.591 ' CZ ' ' CD2' ' P' ' 23' A LEU . 0.7 OUTLIER -53.5 -52.72 58.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 15.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.525 ' HE2' ' HB3' ' P' ' 17' ' ' ASN . 59.2 m-85 -59.35 6.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.618 0.599 . . . . 15.0 112.618 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.544 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.9 m -109.22 -22.56 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 15.0 110.513 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.497 ' O ' ' C ' ' P' ' 23' C ASN . 54.7 m170 -124.63 35.65 4.76 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.68 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.601 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.7 mt -45.81 -55.78 6.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.807 0.337 . . . . 15.0 111.121 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -56.64 -15.52 4.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 120.888 -0.325 . . . . 15.0 111.121 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.663 ' HB2' ' CE1' ' P' ' 25' ' ' TYR . 15.8 p30 -156.04 70.2 5.11 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 108.388 -0.968 . . . . 15.0 108.388 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.601 ' HD3' ' O ' ' P' ' 23' A LEU . 9.7 Cg_exo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.868 3.045 . . . . 15.0 115.509 -176.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.663 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.0 OUTLIER -126.66 119.66 22.9 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 109.787 -0.449 . . . . 15.0 109.787 177.147 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.591 ' HD3' ' CD2' ' P' ' 49' ' ' PHE . 7.6 Cg_endo -48.8 -154.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.286 2.657 . . . . 15.0 113.169 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.605 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 47.1 t -155.32 172.2 18.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.448 -1.686 . . . . 15.0 106.448 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -49.09 -53.46 20.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 118.483 0.583 . . . . 15.0 110.959 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.8 -33.64 74.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.75 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.441 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -63.6 -55.81 20.82 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.691 -0.232 . . . . 15.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.605 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -59.73 -24.67 64.2 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 119.998 -0.681 . . . . 15.0 110.257 178.794 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.538 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.7 mt-10 -75.76 -60.74 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.99 178.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -58.87 -48.54 81.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 15.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' P' ' 49' ' ' PHE . 95.9 mt -56.15 -59.82 4.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.966 0.412 . . . . 15.0 110.693 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.421 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.61 -30.08 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.913 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.2 OUTLIER -76.32 -46.73 26.35 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.962 0.887 . . . . 15.0 109.628 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -67.71 -45.4 75.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.918 -1.492 . . . . 15.0 111.881 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.588 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 58.1 m -74.15 -50.2 20.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.812 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.42 17.46 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.226 -0.749 . . . . 15.0 111.226 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.421 ' CG1' ' HA ' ' P' ' 35' ' ' ALA . 12.9 pt -107.28 -163.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.174 -0.513 . . . . 15.0 109.637 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.503 ' O ' ' C ' ' P' ' 42' ' ' VAL . 9.7 t -121.43 145.3 48.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.469 -0.937 . . . . 15.0 108.469 177.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.516 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 6.9 t -27.08 -75.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 123.295 0.372 . . . . 15.0 111.518 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 50.0 m -42.31 -31.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.398 0.888 . . . . 15.0 113.398 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.491 ' HG3' ' CG2' ' P' ' 41' ' ' THR . 85.5 mt-30 -66.71 -33.61 76.02 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.482 -0.487 . . . . 15.0 110.47 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.511 HG12 ' CD1' ' P' ' 49' ' ' PHE . 57.8 t -63.89 -59.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.238 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 55.2 m -51.88 -29.44 19.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.406 0.622 . . . . 15.0 109.816 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.73 -51.64 15.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.025 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 74.6 t90 -57.71 -59.97 4.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.81 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.591 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 7.6 m-85 -47.91 -57.12 6.11 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.485 ' HA2' ' NH1' ' P' ' 53' ' ' ARG . . . -33.04 -67.99 0.18 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 116.01 -0.541 . . . . 15.0 113.992 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . 0.525 ' ND2' " H2'" ' A' ' 7' ' ' ' DG' . 6.8 p-10 -59.22 -40.14 84.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.434 0.531 . . . . 15.0 112.434 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.61 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 4.7 mmmp? -44.95 -55.07 5.82 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.442 0.534 . . . . 15.0 112.442 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.712 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 19.0 ptt-85 -58.08 -45.54 86.99 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.59 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 14.3 mm -54.77 -51.24 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.461 -0.94 . . . . 15.0 108.461 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 2.5 tpm_? -51.03 -39.91 56.99 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.418 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.712 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 3.7 t80 -50.78 -59.61 3.92 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.863 -0.608 . . . . 15.0 111.098 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.543 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 53.5 mttt -50.77 -19.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.987 1.106 . . . . 15.0 113.987 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.59 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.9 OUTLIER -71.92 -38.03 69.95 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.421 -0.585 . . . . 15.0 109.421 179.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' P' ' 58' ' ' LYS . 2.7 m120 -139.94 45.05 1.9 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.877 0.695 . . . . 15.0 112.877 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.543 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 51.0 mm -13.88 -69.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 115.129 1.529 . . . . 15.0 115.129 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.8 -25.43 56.01 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 116.118 -0.492 . . . . 15.0 114.252 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' P' ' 59' ' ' ASN . 87.2 tttt -66.01 -41.3 91.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.096 0.474 . . . . 15.0 110.226 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.67 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 27.7 m-85 -79.02 -27.62 43.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 15.0 111.887 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -52.25 -62.14 1.82 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.49 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.0 tt0 -53.25 -47.62 68.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.546 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' P' ' 69' ' ' ILE . 52.0 mm-40 -54.4 -54.86 34.95 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.047 -0.979 . . . . 15.0 110.517 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -74.43 -34.63 63.27 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.402 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.49 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.8 mt -64.82 -52.43 54.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.781 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.464 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 17.4 m-85 -66.1 -25.92 67.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.071 0.462 . . . . 15.0 110.624 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.42 -57.23 13.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.972 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.68 -7.71 41.49 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.669 0.618 . . . . 15.0 112.669 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.533 ' O ' ' CG2' ' P' ' 74' ' ' THR . 9.6 mtpm? -68.59 -172.76 0.38 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.911 -0.316 . . . . 15.0 110.808 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' P' ' 73' ' ' LYS . 8.8 t 53.68 120.39 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.238 0.542 . . . . 15.0 111.369 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 76.9 5.51 3.33 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.822 -0.626 . . . . 15.0 111.353 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 10.6 p -86.03 139.42 17.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.816 0.341 . . . . 15.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -145.62 152.25 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 15.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.238 -0.887 . . . . 15.0 111.05 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.544 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.02 0 C4'-C3'-C2' 104.849 1.649 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.851 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.883 1.62 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.851 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 101.521 -0.842 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.629 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C1'-O4'-C4' 110.297 0.426 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.629 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 103.898 0.698 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C4'-C3'-C2' 102.247 -0.953 . . . . 15.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.783 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 105.043 1.674 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.783 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.545 0 O4'-C1'-C2' 106.964 0.786 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.78 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.872 0 C3'-C2'-C1' 99.437 -2.331 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.78 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.719 0 O4'-C1'-C2' 107.638 1.398 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.531 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.497 1.27 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.531 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C1'-O4'-C4' 110.337 0.455 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.44 " H1'" ' C6 ' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C5'-C4'-O4' 108.692 -0.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.44 ' C6 ' " H1'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.794 0 C4'-C3'-C2' 104.756 1.556 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.56 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O5'-C5'-C4' 110.921 0.515 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.56 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 102.033 -0.477 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.582 " H4'" ' OP1' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C3'-C2'-C1' 104.756 1.469 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.741 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C4'-C3'-C2' 101.61 -1.59 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.741 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 101.813 -0.633 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.689 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 C3'-C2'-C1' 99.276 -2.445 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.709 H2'' ' OP2' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.518 -1.05 0 C4'-C3'-C2' 100.423 -2.777 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.709 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.573 0 O4'-C1'-C2' 108.041 1.765 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.708 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.03 0 C1'-O4'-C4' 107.263 -1.741 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.656 ' O2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C3'-C2'-C1' 100.387 -1.652 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.663 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.52 -0.812 0 O4'-C4'-C3' 103.535 -2.065 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.668 ' P ' " H3'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.439 0.579 0 C3'-C2'-C1' 105.107 1.719 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.638 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C4'-C3' 106.285 0.685 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.541 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-N19 108.237 0.547 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 55.1 ttp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.9 0.381 . . . . 15.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.448 ' CB ' " H3'" ' B' ' 24' ' ' ' DT' . . . -72.8 163.01 28.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.258 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.58 ' N ' H5'' ' B' ' 24' ' ' ' DT' . 28.6 mtp180 -52.47 -96.55 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.441 -0.345 . . . . 15.0 111.648 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.616 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -177.61 155.76 1.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.245 0.831 . . . . 15.0 113.245 -178.577 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.74 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER 179.49 -36.94 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 112.676 0.621 . . . . 15.0 112.676 175.283 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.74 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 0.5 OUTLIER -153.31 -161.23 1.24 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.909 -178.429 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.435 ' NH1' ' OP1' ' B' ' 25' ' ' ' DG' . 54.9 mtp180 79.36 -36.3 0.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.605 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 65.1 t30 -55.78 -101.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.818 -1.083 . . . . 15.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.651 ' CZ ' ' HB2' ' P' ' 48' ' ' TRP . 28.9 m-85 -65.86 110.81 3.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.027 0.831 . . . . 15.0 109.993 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.82 172.6 5.19 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.77 -0.455 . . . . 15.0 109.77 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.491 ' HD3' ' N ' ' P' ' 11' ' ' GLN . 0.1 OUTLIER -58.1 -15.15 8.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 111.79 0.293 . . . . 15.0 111.79 -179.357 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -79.39 -46.66 17.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.238 0.542 . . . . 15.0 109.883 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.537 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.6 -42.35 98.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.675 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.9 p -56.53 -55.13 37.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 15.0 111.581 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.5 pt-20 -55.97 -41.26 74.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.256 0.55 . . . . 15.0 110.717 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.442 HD13 ' O ' ' P' ' 11' ' ' GLN . 59.4 mt -64.77 -58.31 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.053 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.471 ' HB3' ' CZ3' ' P' ' 48' ' ' TRP . 58.5 mt -60.68 -45.81 92.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.115 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' P' ' 13' ' ' THR . 72.5 m-20 -51.33 -59.92 3.7 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 15.0 110.855 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' P' ' 14' ' ' GLU . 96.9 mt-10 -44.53 -45.5 9.36 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.555 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.91 -36.22 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.742 0.306 . . . . 15.0 110.611 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.603 ' CZ ' ' CD2' ' P' ' 23' A LEU . 22.5 t80 -53.3 -50.49 64.79 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.912 0.386 . . . . 15.0 110.768 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.5 m-85 -59.9 11.39 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.604 0.594 . . . . 15.0 112.604 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.585 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.4 t -116.28 -19.32 10.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 15.0 110.282 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.451 ' HB3' ' OD1' ' P' ' 23' C ASN . 50.6 m170 -125.94 33.18 5.11 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.18 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.633 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.0 mt -43.75 -64.79 0.59 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 53.3 m -58.22 -3.1 0.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.398 0.518 . . . . 15.0 112.398 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.622 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 6.1 p30 -153.97 72.42 6.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.633 ' HD3' ' O ' ' P' ' 23' A LEU . 58.9 Cg_endo -69.47 70.52 1.42 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.847 2.365 . . . . 15.0 113.541 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.622 ' CZ ' ' HB2' ' P' ' 23' C ASN . 11.0 p90 -153.56 120.44 2.93 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.761 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.498 ' HG3' ' CG1' ' P' ' 45' ' ' VAL . 17.8 Cg_endo -54.81 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 123.213 2.609 . . . . 15.0 112.291 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.574 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 46.1 t -149.15 169.23 21.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 105.596 -2.002 . . . . 15.0 105.596 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 95.1 mt-10 -49.31 -53.89 19.76 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.238 0.926 . . . . 15.0 110.561 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.44 -34.58 76.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.504 -0.316 . . . . 15.0 110.519 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.451 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -62.24 -57.07 12.81 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 121.237 -0.185 . . . . 15.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.574 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -58.34 -24.38 59.61 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 120.215 -0.594 . . . . 15.0 110.361 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.524 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 49.3 mt-10 -75.94 -60.04 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 15.0 109.952 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.72 -50.19 74.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.506 -0.315 . . . . 15.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' P' ' 49' ' ' PHE . 96.1 mt -53.75 -62.49 1.62 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.978 0.418 . . . . 15.0 110.687 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.16 -29.83 33.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.554 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.524 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.5 OUTLIER -76.12 -43.15 44.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.992 0.901 . . . . 15.0 109.083 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.99 -48.53 62.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.76 -1.564 . . . . 15.0 111.723 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.537 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 2.0 p -74.33 -51.14 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.683 -0.69 . . . . 15.0 112.498 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.48 19.3 6.24 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.233 -0.747 . . . . 15.0 111.233 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.447 HD11 ' CE2' ' P' ' 8' ' ' PHE . 7.7 pt -104.08 -166.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.177 0.591 . . . . 15.0 109.417 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.507 ' O ' ' C ' ' P' ' 42' ' ' VAL . 8.7 t -117.34 137.87 52.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.507 ' C ' ' O ' ' P' ' 41' ' ' THR . 3.9 t -25.16 -76.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.983 0.421 . . . . 15.0 111.48 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 53.5 m -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.953 0.723 . . . . 15.0 112.953 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.592 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 25.2 tp60 -65.94 -38.3 88.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.498 ' CG1' ' HG3' ' P' ' 26' ' ' PRO . 62.9 t -59.24 -58.52 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 46' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' P' ' 26' ' ' PRO . 47.5 t -51.1 -28.98 11.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.378 0.609 . . . . 15.0 110.306 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.04 -49.45 24.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.114 -0.948 . . . . 15.0 108.638 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.651 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 52.8 t90 -58.1 -59.68 4.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.869 -1.059 . . . . 15.0 111.71 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.485 ' CD1' HG12 ' P' ' 45' ' ' VAL . 7.3 m-85 -47.92 -59.13 3.57 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.343 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.8 -48.22 24.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.24 -0.981 . . . . 15.0 111.961 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . 0.498 ' HA ' HG12 ' P' ' 54' ' ' ILE . 25.8 t-20 -66.19 -30.04 70.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 15.0 110.654 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 50.7 tptt -60.53 -35.6 76.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.629 ' HD2' ' HG3' ' P' ' 24' ' ' PRO . 9.8 ptm180 -72.86 -34.57 66.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.659 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 9.6 mm -55.25 -55.56 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.828 -1.175 . . . . 15.0 107.828 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.472 ' CZ ' ' OP2' ' A' ' 7' ' ' ' DG' . 37.7 ttm180 -49.35 -43.62 43.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.272 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.612 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.7 t80 -54.89 -59.78 4.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.588 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.419 ' HA ' HD11 ' P' ' 60' ' ' ILE . 0.0 OUTLIER -44.96 -17.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.014 1.116 . . . . 15.0 114.014 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.659 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.9 OUTLIER -79.76 -36.3 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.624 0.249 . . . . 15.0 111.616 -178.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.9 m-20 -143.15 45.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 15.0 113.548 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.48 ' HA ' ' CE1' ' P' ' 56' ' ' TYR . 35.9 mm -13.9 -71.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.966 1.469 . . . . 15.0 114.966 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.43 -22.83 16.98 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.149 -0.478 . . . . 15.0 114.138 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.5 tttm -75.77 -37.34 59.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.305 0.574 . . . . 15.0 109.845 179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.612 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 84.4 m-85 -80.41 -28.61 37.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.352 -0.84 . . . . 15.0 111.497 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -57.08 -63.66 1.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.48 -0.563 . . . . 15.0 109.48 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.569 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 50.1 mt-10 -60.5 -49.87 75.82 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' P' ' 71' ' ' ALA . . . -43.73 -40.98 4.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.85 -1.068 . . . . 15.0 110.554 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.39 -36.91 63.54 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.059 0.457 . . . . 15.0 110.368 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.43 HD13 HG22 ' P' ' 69' ' ' ILE . 85.3 mt -61.76 -62.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.168 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.486 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.2 m-85 -66.4 -31.78 72.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.483 -0.78 . . . . 15.0 111.809 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' P' ' 67' ' ' ALA . . . -56.2 -55.61 31.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 15.0 111.476 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.79 67.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 15.0 111.917 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.461 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 0.3 OUTLIER -68.92 72.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.027 0.441 . . . . 15.0 111.194 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 74' ' ' THR . . . . . . . . . . . . . 70.3 p -89.44 -7.2 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.306 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' P' ' 76' ' ' VAL . . . -78.99 -75.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.762 0.315 . . . . 15.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' P' ' 75' ' ' ALA . 7.6 p 44.02 61.53 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.64 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 74.7 p -93.3 -66.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.253 -0.879 . . . . 15.0 111.116 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.526 " O5'" ' C8 ' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.407 -0.966 0 C4'-C3'-C2' 104.894 1.694 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.826 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.928 1.662 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.826 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 101.419 -0.915 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.668 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 C1'-O4'-C4' 110.335 0.454 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.668 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 104.037 0.837 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.541 ' O2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 100.557 -1.531 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 1.016 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.493 1.266 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 1.016 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 P--O3' 1.614 0.619 0 O3'-P-O5' 105.96 1.032 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.957 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.875 0 C3'-C2'-C1' 99.236 -2.474 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.957 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.735 0 C3'-C2'-C1' 104.703 1.431 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.612 " O4'" " H5'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 104.869 1.549 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.612 " H5'" " O4'" ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.503 0.573 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.633 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-C1' 104.793 1.495 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.633 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C4'-C3' 106.245 0.645 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.525 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 C3'-C2'-C1' 101.955 -0.532 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.525 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.248 0.391 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.737 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.336 1.124 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.992 " H1'" " O4'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 N19-C1'-C2' 116.182 1.239 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.992 " O4'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 101.42 -1.78 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.613 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 100.024 -1.912 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.613 ' C7 ' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.532 0.821 0 C4'-C3'-C2' 101.463 -1.737 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.698 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 107.985 1.713 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.726 ' C8 ' ' H71' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 O4'-C1'-C2' 104.49 -1.463 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 1.038 ' O2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 O4'-C1'-N19 109.041 1.551 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.708 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C4'-C3' 103.891 -1.709 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.779 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.439 0.614 0 C3'-C2'-C1' 104.817 1.512 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.692 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C4'-C3' 106.196 0.596 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.519 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C4'-C3' 106.178 0.578 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 0' ' ' MET . . . . . 0.473 ' HG2' ' N ' ' P' ' 1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 120.528 0.204 . . . . 15.0 111.356 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.507 ' HA ' ' OP1' ' B' ' 24' ' ' ' DT' . . . -167.28 108.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.105 0.478 . . . . 15.0 111.307 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.555 ' HB3' ' HD2' ' P' ' 3' ' ' ARG . 56.9 mtt85 -54.56 -70.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.051 0.76 . . . . 15.0 113.051 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.613 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -176.44 157.71 1.71 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.593 0.59 . . . . 15.0 112.593 -177.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 1.038 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 3.4 tptp -171.09 -78.03 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 112.264 0.468 . . . . 15.0 112.264 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.753 ' N ' ' HG3' ' P' ' 4' ' ' LYS . 48.0 mtp180 -155.95 157.18 35.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.095 -176.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.561 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 19.8 ptt85 138.88 -30.1 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.117 0.967 . . . . 15.0 109.022 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.634 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 33.1 t30 -59.11 -97.03 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.805 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.634 ' CE1' ' ND2' ' P' ' 7' ' ' ASN . 4.3 m-85 -64.48 109.33 1.92 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.601 0.637 . . . . 15.0 111.008 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . 0.417 ' ND2' ' H ' ' P' ' 10' ' ' LYS . 0.7 OUTLIER -69.02 174.56 4.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.703 -0.48 . . . . 15.0 109.703 179.313 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.492 ' NZ ' ' HB3' ' P' ' 10' ' ' LYS . 8.1 mtpm? -55.7 -19.92 12.58 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.911 0.337 . . . . 15.0 111.911 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 68.4 tp60 -76.34 -47.37 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 15.0 110.446 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.627 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.26 -45.09 93.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.563 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 69.1 p -56.79 -54.49 45.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.479 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.6 pt-20 -53.31 -38.9 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.285 0.564 . . . . 15.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.44 HD11 ' HG3' ' P' ' 11' ' ' GLN . 58.9 mt -72.5 -54.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.226 -0.897 . . . . 15.0 112.954 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.491 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 81.4 mt -60.15 -44.95 94.56 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.68 0.622 . . . . 15.0 112.68 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.575 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 17.7 p30 -60.55 -50.99 71.33 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.285 -0.566 . . . . 15.0 110.671 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.575 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 62.8 mm-40 -43.7 -39.04 3.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.475 . . . . 15.0 110.864 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.532 ' HD2' HD12 ' P' ' 34' ' ' LEU . 1.7 t80 -83.22 -34.96 25.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.724 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.693 ' CZ ' ' CD2' ' P' ' 23' A LEU . 18.9 t80 -53.24 -53.49 49.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.98 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.455 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 63.7 m-85 -57.97 10.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.536 ' H ' ' C ' ' P' ' 20' ' ' PHE . 85.4 p -115.02 -18.38 11.24 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.22 -0.3 . . . . 15.0 110.779 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' P' ' 24' ' ' PRO . 62.8 m170 -129.5 31.72 4.75 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.095 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.693 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 13.9 mt -40.7 -62.28 0.82 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.087 0.403 . . . . 15.0 112.087 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.6 t -58.72 -9.96 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.493 0.553 . . . . 15.0 112.493 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.432 ' HB2' ' CE2' ' P' ' 25' ' ' TYR . 15.9 p-10 -173.03 70.52 0.39 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.688 0.28 . . . . 15.0 110.58 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.598 ' HD3' ' O ' ' P' ' 23' A LEU . 61.8 Cg_endo -72.32 90.53 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.67 2.246 . . . . 15.0 111.899 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' P' ' 23' C ASN . 4.4 m-30 -123.37 89.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.826 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 81.1 Cg_endo -66.31 91.11 0.27 Allowed 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.594 2.196 . . . . 15.0 111.172 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.528 ' N ' ' HB2' ' P' ' 30' ' ' ALA . 47.0 t -37.73 167.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.907 0.754 . . . . 15.0 111.499 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -44.73 -46.26 10.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.542 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.63 -32.56 68.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.557 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.583 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -65.53 -56.95 9.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.487 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.826 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -60.98 -23.39 65.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.025 0.44 . . . . 15.0 110.065 178.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.539 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 83.9 mt-10 -75.7 -59.8 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.693 . . . . 15.0 109.139 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.8 pt-20 -58.66 -47.97 82.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.61 HD13 ' CE1' ' P' ' 49' ' ' PHE . 91.6 mt -53.46 -60.45 3.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.999 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.91 -30.78 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 15.0 112.207 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.76 -46.68 29.48 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.963 0.887 . . . . 15.0 109.266 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -67.66 -46.07 73.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.452 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.627 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 64.4 m -73.92 -53.17 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.24 -0.891 . . . . 15.0 112.297 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.35 17.9 6.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.896 -0.669 . . . . 15.0 111.525 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.441 HD11 ' CD2' ' P' ' 8' ' ' PHE . 8.1 pt -104.88 -165.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.3 t -116.67 137.21 52.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.522 -0.918 . . . . 15.0 108.522 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.56 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 21.8 t -21.86 -78.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 120.968 0.413 . . . . 15.0 111.877 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 41.8 m -42.74 -28.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.493 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' P' ' 41' ' ' THR . 53.9 tp60 -66.37 -38.22 87.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.171 0.51 . . . . 15.0 109.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' P' ' 49' ' ' PHE . 78.2 t -60.48 -57.02 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.634 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -53.71 -25.28 17.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.267 0.556 . . . . 15.0 110.341 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.94 -50.2 21.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.249 -0.887 . . . . 15.0 108.977 178.129 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.521 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 51.0 t90 -57.87 -60.3 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 15.0 111.507 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' P' ' 34' ' ' LEU . 8.3 m-85 -48.18 -59.06 3.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.462 -0.79 . . . . 15.0 112.143 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.645 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.3 -48.34 6.81 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.714 -0.755 . . . . 15.0 112.682 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . 0.43 ' HA ' HG12 ' P' ' 54' ' ' ILE . 22.6 t-20 -75.47 -28.17 59.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.587 0.232 . . . . 15.0 111.53 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 21.2 tptm -60.24 -39.86 88.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.866 0.321 . . . . 15.0 111.866 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.614 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.9 ptm180 -71.17 -36.18 71.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.571 -0.9 . . . . 15.0 108.571 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.645 HG12 ' O ' ' P' ' 50' ' ' GLY . 27.5 mm -53.89 -55.0 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.519 -0.764 . . . . 15.0 109.35 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.425 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 71.1 mtp180 -49.58 -42.06 43.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.708 0.289 . . . . 15.0 110.983 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.741 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 3.3 t80 -47.68 -59.97 2.9 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.165 0.507 . . . . 15.0 110.981 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' P' ' 57' ' ' LYS . 0.0 OUTLIER -46.29 -19.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.427 0.899 . . . . 15.0 113.427 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.544 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.6 OUTLIER -83.79 -39.09 20.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.537 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' P' ' 62' ' ' LYS . 60.0 m-20 -133.86 40.01 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.625 0.602 . . . . 15.0 112.625 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.458 HD12 ' CZ ' ' P' ' 56' ' ' TYR . 36.7 mm -13.69 -71.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 114.547 1.314 . . . . 15.0 114.547 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.11 -25.82 40.36 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.025 -0.534 . . . . 15.0 114.138 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -70.46 -39.33 74.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.183 0.516 . . . . 15.0 110.106 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.741 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 96.1 m-85 -76.14 -30.81 58.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.762 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -55.2 -62.09 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.874 -0.417 . . . . 15.0 109.874 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -51.24 -46.61 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.46 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' P' ' 69' ' ' ILE . 96.8 mt-10 -56.47 -51.76 67.24 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 108.796 -0.816 . . . . 15.0 108.796 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.81 -44.8 7.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.331 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -69.83 -34.51 73.76 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.168 -0.469 . . . . 15.0 109.977 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' P' ' 66' ' ' GLU . 78.6 mt -66.63 -54.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.877 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.541 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 77.3 m-85 -66.33 -9.37 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.678 -0.692 . . . . 15.0 111.785 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.25 -57.15 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 15.0 110.861 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.57 -24.93 64.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.886 0.699 . . . . 15.0 112.886 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.541 ' CD ' ' HA ' ' P' ' 70' ' ' TYR . 0.1 OUTLIER -68.89 -142.5 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 121.026 -0.27 . . . . 15.0 111.35 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' P' ' 73' ' ' LYS . 69.9 p 60.23 157.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.934 0.397 . . . . 15.0 110.833 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 75.08 6.54 4.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.98 -0.555 . . . . 15.0 111.317 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 9.2 p -86.26 159.62 3.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.854 0.359 . . . . 15.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 87.8 m -144.98 115.09 7.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.816 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.207 -0.901 . . . . 15.0 111.1 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.517 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.817 0 C4'-C3'-C2' 104.892 1.692 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.764 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.862 1.601 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.764 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 101.69 -0.721 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.548 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 101.879 -0.586 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.548 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 103.974 0.774 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.634 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 100.722 -1.413 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.937 " H2'" ' OD1' ' P' ' 51' ' ' ASN . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C3'-C2'-C1' 104.153 1.038 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.72 ' C8 ' H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.472 1.247 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.718 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.716 0 C3'-C2'-C1' 99.886 -2.01 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.718 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.713 0 C3'-C2'-C1' 104.808 1.506 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.469 " H5'" H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 107.516 1.287 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.462 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 103.773 0.573 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.654 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.601 1.364 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.654 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C5'-C4'-O4' 108.691 -0.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.54 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.599 0 O5'-C5'-C4' 110.889 0.492 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.54 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 101.918 -0.558 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.499 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 107.129 0.935 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.959 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C2'-C3'-O3' 113.395 1.035 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.959 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 101.795 -0.646 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.66 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 100.822 -2.378 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.787 H2'' ' OP2' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.516 -1.21 0 C4'-C3'-C2' 100.38 -2.82 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.79 H2'' " O5'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.439 0.632 0 O4'-C1'-C2' 107.901 1.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.79 " O5'" H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-N19 108.652 1.065 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.832 ' O2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C4'--C3' 1.536 0.793 0 O4'-C1'-N19 109.05 1.563 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.796 " C5'" " H1'" ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.773 0 O4'-C4'-C3' 103.553 -2.047 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.626 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.644 0 C3'-C2'-C1' 105.344 1.889 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.648 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C4'-C3'-C2' 104.182 0.982 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.511 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C3'-C2'-C1' 102.077 -0.445 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 55.3 ttp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 15.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.433 ' HB1' H5'' ' B' ' 24' ' ' ' DT' . . . -167.26 -162.03 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.571 ' HB2' ' OP2' ' B' ' 24' ' ' ' DT' . 61.4 mtt85 -45.71 -87.62 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.589 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -176.98 159.32 1.68 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.322 0.49 . . . . 15.0 112.322 -178.333 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.832 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -179.31 -67.87 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 120.465 -0.494 . . . . 15.0 111.698 176.7 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.574 ' HB3' ' HD3' ' P' ' 4' ' ' LYS . 11.5 ptm180 -164.35 143.44 7.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.193 0.521 . . . . 15.0 111.573 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 1.8 ptm85 157.18 -28.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.729 -1.123 . . . . 15.0 108.614 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.447 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 6.3 t30 -60.1 -89.66 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.692 -1.14 . . . . 15.0 111.554 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' P' ' 48' ' ' TRP . 0.3 OUTLIER -61.2 102.67 0.23 Allowed 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.346 0.593 . . . . 15.0 111.053 -179.156 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -65.02 173.32 2.43 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.133 -0.939 . . . . 15.0 110.127 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -55.01 -16.98 3.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.647 0.26 . . . . 15.0 111.545 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.4 tp-100 -79.21 -46.95 16.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.007 0.432 . . . . 15.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.09 -43.52 98.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.855 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 68.8 p -56.98 -56.1 26.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.074 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 14.2 pt-20 -52.7 -38.05 60.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.315 0.579 . . . . 15.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.436 HD12 ' HG3' ' P' ' 11' ' ' GLN . 65.0 mt -71.27 -56.06 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.271 -0.877 . . . . 15.0 113.239 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.525 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 72.3 mt -60.45 -43.75 96.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.158 0.799 . . . . 15.0 113.158 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 19.6 p30 -60.46 -52.83 63.52 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.265 -0.574 . . . . 15.0 111.028 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.476 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 50.1 mt-10 -45.97 -37.53 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 15.0 111.362 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.444 ' HD2' HD12 ' P' ' 34' ' ' LEU . 1.8 t80 -81.91 -40.37 22.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.929 0.395 . . . . 15.0 110.636 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.549 ' CE1' HD22 ' P' ' 23' A LEU . 0.3 OUTLIER -49.16 -48.23 45.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.504 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 68.5 m-85 -61.39 4.98 0.08 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.486 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.5 t -108.37 -25.97 10.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.556 0.217 . . . . 15.0 111.059 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.435 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 53.8 m170 -124.67 38.98 4.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.521 -0.309 . . . . 15.0 111.461 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.633 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 6.7 mt -46.45 -62.0 1.56 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.828 0.347 . . . . 15.0 111.121 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 23' B SER . . . . . 0.517 ' O ' ' ND2' ' P' ' 23' C ASN . 80.3 p -59.91 -8.79 2.42 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.912 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.517 ' ND2' ' O ' ' P' ' 23' B SER . 8.0 m120 -141.41 69.06 26.58 Favored Pre-proline 0 N--CA 1.462 0.151 0 CA-C-O 121.026 0.441 . . . . 15.0 110.092 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.633 ' HD3' ' O ' ' P' ' 23' A LEU . 48.8 Cg_endo -66.91 61.53 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.03 2.487 . . . . 15.0 113.222 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' P' ' 23' C ASN . 4.5 p90 -154.01 97.02 2.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 121.087 0.47 . . . . 15.0 110.197 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.696 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 87.7 Cg_endo -69.56 113.01 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.531 2.821 . . . . 15.0 112.934 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.408 ' O ' ' O ' ' P' ' 26' ' ' PRO . 51.1 m -36.19 159.75 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.258 -0.883 . . . . 15.0 111.256 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 94.6 mt-10 -46.26 -42.93 15.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.752 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.59 -24.07 56.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.849 0.357 . . . . 15.0 110.855 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.593 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -69.71 -54.28 14.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.982 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.696 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -62.3 -21.36 65.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.325 178.558 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.536 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 41.1 mt-10 -75.48 -59.78 2.6 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.56 -45.36 89.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' P' ' 30' ' ' ALA . 96.2 mt -56.64 -60.7 3.17 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.31 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.77 59.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.988 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.536 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.42 -46.77 30.74 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.991 0.901 . . . . 15.0 108.714 179.217 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -65.63 -48.97 70.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.905 -1.498 . . . . 15.0 110.701 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.574 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 39.3 m -74.46 -52.04 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.975 -1.012 . . . . 15.0 111.66 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.6 23.89 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.866 -0.683 . . . . 15.0 111.872 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.429 HG23 ' CD2' ' P' ' 8' ' ' PHE . 3.8 pt -101.75 -168.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 122.293 0.237 . . . . 15.0 110.826 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.476 ' O ' ' N ' ' P' ' 43' ' ' SER . 4.9 t -109.87 90.1 3.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.633 0.254 . . . . 15.0 110.634 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.573 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 14.4 t 17.43 -83.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 124.205 0.94 . . . . 15.0 112.142 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 43' ' ' SER . . . . . 0.476 ' N ' ' O ' ' P' ' 41' ' ' THR . 38.0 m -44.62 -24.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.501 ' HG3' ' CE2' ' P' ' 8' ' ' PHE . 48.1 tp60 -67.01 -37.52 84.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.945 -0.761 . . . . 15.0 108.945 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.556 HG12 HD11 ' P' ' 34' ' ' LEU . 89.3 t -56.33 -54.72 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.18 -0.918 . . . . 15.0 109.699 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -56.04 -27.98 55.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.345 0.593 . . . . 15.0 110.27 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.58 -52.04 14.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.167 -0.924 . . . . 15.0 109.616 178.776 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.549 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 82.0 t90 -56.89 -54.41 46.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.359 -0.837 . . . . 15.0 110.649 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' P' ' 34' ' ' LEU . 6.5 m-85 -48.36 -54.19 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.393 -0.821 . . . . 15.0 110.87 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.633 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.56 -32.58 5.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.851 -0.69 . . . . 15.0 112.95 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . 0.937 ' OD1' " H2'" ' A' ' 7' ' ' ' DG' . 1.1 t-20 -73.72 -54.18 8.67 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.771 0.32 . . . . 15.0 111.845 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.512 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 29.6 mmmt -38.81 -45.45 1.15 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.597 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.605 ' C ' ' H ' ' P' ' 55' ' ' ARG . 2.4 ptm85 -64.53 -47.36 79.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.633 HG12 ' O ' ' P' ' 50' ' ' GLY . 19.1 mm -60.42 6.03 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.128 0.49 . . . . 15.0 111.133 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.605 ' H ' ' C ' ' P' ' 53' ' ' ARG . 19.0 tpp180 -123.4 -24.61 4.58 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.766 -0.827 . . . . 15.0 108.766 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.608 ' C ' HD11 ' P' ' 60' ' ' ILE . 47.8 t80 -61.53 -68.57 0.3 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.323 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.773 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 20.4 mtmt -49.36 -22.12 1.04 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.353 -0.84 . . . . 15.0 112.623 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.594 ' N ' ' HD2' ' P' ' 58' ' ' LYS . 0.7 OUTLIER -71.73 -37.67 70.55 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.449 -0.796 . . . . 15.0 108.912 178.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.2 m-20 -139.32 31.92 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.433 0.901 . . . . 15.0 113.433 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.773 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 42.2 mm -14.2 -67.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 114.842 1.423 . . . . 15.0 114.842 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.81 -28.62 31.72 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.355 -0.45 . . . . 15.0 113.399 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' P' ' 59' ' ' ASN . 2.6 tmmm? -67.8 -40.71 83.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.59 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 42.5 m-85 -77.49 -28.78 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.583 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -50.98 -65.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.403 ' O ' HG13 ' P' ' 69' ' ' ILE . 38.8 tt0 -52.64 -45.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.853 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' P' ' 69' ' ' ILE . 97.6 mt-10 -57.39 -52.43 65.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.345 0.593 . . . . 15.0 109.465 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.16 -39.41 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -72.89 -35.84 67.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.43 . . . . 15.0 110.27 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' P' ' 66' ' ' GLU . 69.3 mt -66.17 -54.3 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.165 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.438 ' HA ' ' HG2' ' P' ' 73' ' ' LYS . 15.8 m-85 -70.36 -27.67 64.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.12 -57.02 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.343 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.33 -48.68 68.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 15.0 111.675 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.469 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 0.4 OUTLIER -69.02 127.08 31.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.366 -0.379 . . . . 15.0 111.158 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 74' ' ' THR . . . . . . . . . . . . . 72.6 p -151.38 166.2 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 70.53 14.81 7.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.797 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.54 125.44 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 15.0 111.051 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 89.8 m -146.22 -46.77 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 15.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.177 -0.916 . . . . 15.0 111.088 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.527 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.926 0 C4'-C3'-C2' 104.902 1.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.713 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-C2' 107.848 1.589 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.713 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 101.627 -0.766 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.545 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C1'-O4'-C4' 110.377 0.484 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.545 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C1'-O4'-C4' 108.141 -1.114 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.538 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 100.069 -1.879 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.976 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C3'-C2'-C1' 105.766 2.19 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.976 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.315 1.105 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.835 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.939 0 C3'-C2'-C1' 99.595 -2.218 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.835 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 C3'-C2'-C1' 104.815 1.511 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.57 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.772 0.766 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.441 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-C2' 106.986 0.805 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.662 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 107.711 1.464 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.662 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 P-O3'-C3' 120.424 0.603 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.438 ' N3 ' " O4'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O5'-C5'-C4' 110.864 0.474 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.497 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 102.053 -0.462 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.497 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C1'-C2' 107.385 1.168 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.881 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C2'-C3'-O3' 113.385 1.031 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.881 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 P-O3'-C3' 120.514 0.678 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.652 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C3'-C2'-C1' 99.617 -2.202 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.803 H2'' ' OP2' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.534 0.929 0 C2'-C3'-O3' 114.705 1.52 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.803 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.437 -0.778 0 O4'-C1'-C2' 108.426 2.114 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.825 " H1'" ' OP1' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 C1'-O4'-C4' 107.34 -1.685 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.937 ' C2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.898 0 C3'-C2'-C1' 100.485 -1.582 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.715 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C4'-C3' 104.449 -1.151 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.739 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.438 0.569 0 C3'-C2'-C1' 105.015 1.653 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.666 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C4'-C3' 106.311 0.711 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.548 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C3'-C2'-C1' 102.059 -0.458 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 0' ' ' MET . . . . . 0.528 ' CE ' ' HA ' ' P' ' 0' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.726 0.298 . . . . 15.0 110.815 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.427 ' HB3' " O3'" ' B' ' 23' ' ' ' DA' . . . -71.6 -151.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 15.0 111.208 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.565 ' HG2' " H5'" ' B' ' 23' ' ' ' DA' . 31.9 mmm-85 -49.77 -99.03 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 111.584 0.216 . . . . 15.0 111.584 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.587 ' HD2' ' O ' ' P' ' 3' ' ' ARG . 0.0 OUTLIER -176.87 175.62 1.58 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 122.333 -0.229 . . . . 15.0 110.92 -179.099 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.937 ' HG2' ' C2 ' ' B' ' 24' ' ' ' DT' . 0.7 OUTLIER -178.19 -76.13 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 112.739 0.644 . . . . 15.0 112.739 177.103 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.54 ' HB3' ' HD2' ' P' ' 4' ' ' LYS . 15.7 ptm180 -148.94 155.91 41.52 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.637 0.606 . . . . 15.0 112.637 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 14.6 ptm180 143.31 -25.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.347 -1.297 . . . . 15.0 109.055 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 26.8 t30 -56.99 -94.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.593 -1.185 . . . . 15.0 112.784 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.675 ' HE1' ' OP1' ' A' ' 8' ' ' ' DA' . 4.1 m-85 -66.21 116.3 7.13 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.359 0.527 . . . . 15.0 110.773 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . 0.435 ' ND2' ' H ' ' P' ' 10' ' ' LYS . 0.7 OUTLIER -74.28 178.07 5.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.218 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.1 OUTLIER -55.56 -25.19 36.66 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.842 0.312 . . . . 15.0 111.842 -179.258 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.5 tt0 -74.91 -49.04 21.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.438 . . . . 15.0 110.576 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.582 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.79 -41.76 98.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 15.0 111.47 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 71.6 p -57.66 -54.92 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.964 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.2 pt-20 -56.5 -44.08 80.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.333 0.587 . . . . 15.0 110.545 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.44 HD13 ' O ' ' P' ' 11' ' ' GLN . 56.1 mt -59.18 -61.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.16 -0.927 . . . . 15.0 111.785 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 52.4 mt -57.41 -45.48 84.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 15.0 110.723 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.48 ' HB3' ' CE2' ' P' ' 21' ' ' TYR . 52.5 m-20 -53.51 -60.96 2.64 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.597 0.237 . . . . 15.0 111.561 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' P' ' 14' ' ' GLU . 55.3 mt-10 -43.41 -38.88 2.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.31 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.445 ' CD2' HD12 ' P' ' 34' ' ' LEU . 1.8 t80 -79.62 -39.03 32.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 15.0 110.41 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.563 ' C ' ' H ' ' P' ' 22' ' ' SER . 28.4 t80 -53.29 -54.51 35.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.651 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' P' ' 17' ' ' ASN . 58.5 m-85 -56.84 6.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.81 0.671 . . . . 15.0 112.81 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.563 ' H ' ' C ' ' P' ' 20' ' ' PHE . 46.0 t -108.71 -20.79 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.385 -0.197 . . . . 15.0 110.89 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.45 ' HB3' ' O ' ' P' ' 23' C ASN . 64.4 m170 -129.9 35.75 4.12 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.623 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.616 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -43.65 -61.72 1.31 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 80.0 p -58.12 -8.44 1.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.567 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 13.9 p30 -159.6 66.88 2.87 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.633 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 5.7 Cg_exo -78.32 59.93 7.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.114 2.542 . . . . 15.0 114.225 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.636 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.4 p90 -125.46 108.01 26.66 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.636 ' O ' ' O ' ' P' ' 25' ' ' TYR . 1.3 Cg_endo -44.42 -151.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.337 2.692 . . . . 15.0 112.954 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.54 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 57.8 m -156.0 170.44 22.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.356 -1.72 . . . . 15.0 106.356 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -49.07 -52.5 25.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.463 0.574 . . . . 15.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -69.59 -33.99 73.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.797 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -62.52 -55.67 25.24 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.995 -0.282 . . . . 15.0 110.645 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -58.96 -23.95 62.09 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.274 178.854 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.522 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.6 mt-10 -75.72 -60.08 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.896 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' P' ' 34' ' ' LEU . 16.8 pt-20 -58.58 -48.96 79.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 15.0 110.221 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.521 HD13 ' CE1' ' P' ' 49' ' ' PHE . 97.5 mt -56.09 -59.75 4.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.91 0.386 . . . . 15.0 110.573 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.55 -30.08 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.405 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -76.26 -46.53 27.61 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 122.003 0.906 . . . . 15.0 109.374 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -66.87 -45.53 77.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.849 -1.523 . . . . 15.0 111.791 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.582 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 57.2 m -74.26 -49.48 23.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 15.0 112.046 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 17.7 8.32 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.893 -0.883 . . . . 15.0 110.893 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' P' ' 8' ' ' PHE . 19.8 pt -105.68 -163.82 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.507 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.8 t -121.17 144.23 48.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.516 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 10.6 t -26.0 -75.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 123.254 0.347 . . . . 15.0 111.554 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 51.7 m -42.33 -30.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.234 0.827 . . . . 15.0 113.234 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.507 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.3 mm100 -66.77 -33.79 76.41 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.09 0.471 . . . . 15.0 110.178 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' P' ' 49' ' ' PHE . 55.1 t -64.82 -60.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.614 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -51.93 -27.59 13.57 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.434 0.635 . . . . 15.0 109.932 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -51.06 17.26 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.255 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.672 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 72.5 t90 -57.66 -60.62 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.564 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.521 ' CE1' HD13 ' P' ' 34' ' ' LEU . 7.0 m-85 -47.36 -56.02 7.7 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.769 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.493 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -36.04 -61.89 0.75 Allowed Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.14 -0.482 . . . . 15.0 113.89 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -64.89 -23.2 67.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.797 0.665 . . . . 15.0 112.797 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.593 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.7 mmmt -59.93 -49.37 77.94 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.028 0.381 . . . . 15.0 112.028 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.673 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.4 ptt-85 -65.02 -42.72 94.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.549 -0.537 . . . . 15.0 109.549 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.543 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 15.2 mm -55.4 -58.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.407 -0.961 . . . . 15.0 108.407 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.652 ' HG3' ' HZ ' ' P' ' 63' ' ' PHE . 10.7 tpt180 -53.18 -37.14 61.65 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.792 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.691 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.2 OUTLIER -49.17 -60.42 2.81 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.378 0.609 . . . . 15.0 110.657 178.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.502 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 74.3 mmtt -48.86 -20.37 0.49 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.141 -0.936 . . . . 15.0 113.477 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.543 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 2.6 mptp? -75.37 -39.13 59.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.241 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.7 m-20 -135.71 42.75 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.069 0.766 . . . . 15.0 113.069 -178.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 47.7 mm -14.21 -71.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 115.274 1.583 . . . . 15.0 115.274 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.38 -24.4 51.87 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 116.043 -0.526 . . . . 15.0 114.117 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' P' ' 59' ' ' ASN . 63.2 tttp -65.09 -42.07 94.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.01 0.433 . . . . 15.0 110.015 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.691 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 37.6 m-85 -77.27 -24.93 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.935 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -55.22 -63.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.99 -47.15 65.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.584 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.0 mt-10 -54.93 -53.7 52.24 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.003 -0.74 . . . . 15.0 109.003 178.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.57 -44.38 6.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.011 -0.995 . . . . 15.0 110.368 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.984 0.421 . . . . 15.0 110.517 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' P' ' 66' ' ' GLU . 72.6 mt -65.95 -57.65 9.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.433 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.491 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 86.2 m-85 -66.08 -12.98 59.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.686 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.88 -59.01 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.98 0.419 . . . . 15.0 110.826 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.5 -34.13 73.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.852 -0.613 . . . . 15.0 112.247 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.506 ' O ' ' CG2' ' P' ' 74' ' ' THR . 19.9 ptpt -68.98 -169.28 0.17 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.581 0.229 . . . . 15.0 111.253 -179.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' P' ' 73' ' ' LYS . 9.6 t 52.23 120.18 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.836 -0.62 . . . . 15.0 111.841 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 66.83 19.8 10.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 15.0 111.145 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 8.4 p -85.54 -33.32 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 79.3 p -146.0 61.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.208 -0.901 . . . . 15.0 111.136 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.539 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -0.985 0 C4'-C3'-C2' 104.924 1.724 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.768 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 107.9 1.636 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.768 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C3'-C2'-C1' 101.58 -0.8 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.634 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C5'-C4'-O4' 108.744 -0.41 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.634 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C4'-C3'-C2' 104.036 0.836 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.628 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 101.023 -1.198 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.98 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.532 0.804 0 O4'-C1'-C2' 107.516 1.287 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.98 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 P-O3'-C3' 120.662 0.801 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.775 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 C3'-C2'-C1' 99.413 -2.348 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.775 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.717 0 C3'-C2'-C1' 104.856 1.54 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.536 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 107.612 1.374 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.508 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.876 0.84 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.672 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.659 1.418 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.672 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 P-O3'-C3' 120.323 0.519 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.575 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.597 0 C3'-C2'-C1' 101.928 -0.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.575 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C5'-C4'-O4' 108.686 -0.447 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.524 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.288 1.08 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.504 ' OP2' H2'' ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 N19-C1'-C2' 115.535 0.834 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.512 ' H2 ' ' O2 ' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C3'-C2'-C1' 105.014 1.653 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.609 " C2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.863 0 C3'-C2'-C1' 99.864 -2.025 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.728 H2'' ' OP2' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.537 1.145 0 C2'-C3'-O3' 114.777 1.547 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.728 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.405 -1.161 0 C4'-C3'-C2' 105.078 1.878 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.68 ' C8 ' ' H71' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.408 -0.902 0 C1'-O4'-C4' 107.77 -1.379 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.68 ' H71' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 100.54 -1.543 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.687 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C4'-C3' 104.174 -1.426 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.692 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.438 0.576 0 C3'-C2'-C1' 105.149 1.749 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.636 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C4'-C3' 106.315 0.715 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.557 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.17 0.463 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 11.2 tmm? . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.814 0.34 . . . . 15.0 110.636 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.425 ' CB ' " H3'" ' B' ' 24' ' ' ' DT' . . . -73.49 172.66 10.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.968 0.413 . . . . 15.0 111.314 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.541 ' HB3' ' CZ ' ' P' ' 3' ' ' ARG . 91.4 mtt180 -51.42 -94.2 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.893 0.701 . . . . 15.0 112.893 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.541 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.2 OUTLIER -176.34 148.74 0.78 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.081 1.511 . . . . 15.0 115.081 -178.107 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.859 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER 179.95 -55.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.484 -0.78 . . . . 15.0 111.907 173.598 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.859 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 0.2 OUTLIER -149.21 143.17 25.74 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.249 0.547 . . . . 15.0 111.504 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.501 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 24.1 ptt85 148.19 -29.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.363 -1.289 . . . . 15.0 107.575 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.688 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 31.9 t30 -61.28 -95.66 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 113.9 -1.5 . . . . 15.0 110.779 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.688 ' CE1' ' ND2' ' P' ' 7' ' ' ASN . 15.0 m-85 -64.81 110.62 2.47 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.743 0.702 . . . . 15.0 109.833 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . 0.469 ' ND2' ' CD ' ' P' ' 10' ' ' LYS . 42.5 t30 -69.21 174.23 4.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.456 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.469 ' CD ' ' ND2' ' P' ' 9' ' ' ASN . 0.0 OUTLIER -57.89 -18.3 21.99 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.999 -0.281 . . . . 15.0 111.538 -178.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -76.29 -47.48 23.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 15.0 109.815 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.592 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.45 -45.4 91.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.589 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.494 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.7 p -53.54 -57.45 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.966 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.3 pt-20 -54.05 -39.34 66.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.385 0.612 . . . . 15.0 110.753 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 83.4 mt -66.59 -55.95 16.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.214 -0.903 . . . . 15.0 112.109 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.502 ' HB3' ' CZ3' ' P' ' 48' ' ' TRP . 72.9 mt -62.3 -48.02 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.42 0.526 . . . . 15.0 112.42 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' P' ' 13' ' ' THR . 19.4 p30 -60.73 -52.13 66.4 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.398 -0.521 . . . . 15.0 110.741 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.464 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 43.6 mm-40 -45.32 -34.61 3.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.862 0.363 . . . . 15.0 110.857 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.547 ' HD2' HD13 ' P' ' 34' ' ' LEU . 1.8 t80 -82.94 -40.92 19.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.467 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.645 ' CZ ' HD23 ' P' ' 23' A LEU . 3.4 t80 -48.25 -52.22 22.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 15.0 110.482 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.3 m-85 -56.19 2.43 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.501 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.52 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.7 m -107.03 -23.0 12.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.646 0.26 . . . . 15.0 110.323 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -130.2 42.05 3.32 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.945 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.645 HD23 ' CZ ' ' P' ' 20' ' ' PHE . 2.7 mt -45.39 -61.17 1.78 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.56 0.219 . . . . 15.0 111.471 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 23' B SER . . . . . 0.5 ' O ' ' ND2' ' P' ' 23' C ASN . 52.8 m -58.26 -4.09 0.33 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.5 ' ND2' ' O ' ' P' ' 23' B SER . 8.1 m120 -141.59 73.13 24.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' P' ' 23' A LEU . 47.0 Cg_endo -67.53 55.84 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.022 2.481 . . . . 15.0 113.25 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.47 124.35 3.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.118 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.572 ' HD3' ' CG ' ' P' ' 49' ' ' PHE . 36.3 Cg_endo -60.14 -151.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.756 2.304 . . . . 15.0 111.807 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.547 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 44.5 t -144.06 172.4 12.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.289 -1.745 . . . . 15.0 106.289 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.6 mt-10 -52.52 -54.93 26.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.993 0.815 . . . . 15.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -70.78 -23.84 62.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.5 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -72.55 -53.77 11.05 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.752 0.311 . . . . 15.0 110.467 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.547 ' HD2' ' O ' ' P' ' 27' ' ' SER . 0.8 OUTLIER -61.51 -21.98 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.569 -0.452 . . . . 15.0 110.4 179.066 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.533 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 48.5 mt-10 -75.87 -59.51 2.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.74 -47.93 82.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 15.0 109.824 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.547 HD13 ' HD2' ' P' ' 19' ' ' TYR . 93.4 mt -54.55 -59.02 5.26 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.499 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.84 -32.12 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 15.0 112.417 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.77 -46.78 28.92 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.919 0.866 . . . . 15.0 109.325 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -66.13 -45.52 80.75 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.864 -1.517 . . . . 15.0 111.519 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.592 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 37.9 m -74.18 -51.06 16.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.369 -0.832 . . . . 15.0 112.148 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.2 20.33 6.34 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' P' ' 35' ' ' ALA . 16.8 pt -108.71 -162.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 15.0 109.417 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.486 ' O ' ' C ' ' P' ' 42' ' ' VAL . 9.1 t -121.5 145.0 48.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.5 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 22.1 t -27.23 -74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.77 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 51.4 m -43.2 -31.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.498 0.925 . . . . 15.0 113.498 -178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.483 ' HG3' ' CG2' ' P' ' 41' ' ' THR . 86.6 mt-30 -66.68 -35.99 81.45 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.364 -0.535 . . . . 15.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.513 HG11 HD12 ' P' ' 34' ' ' LEU . 54.9 t -61.33 -57.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.98 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -51.82 -54.42 29.06 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.348 0.594 . . . . 15.0 109.518 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -50.81 -50.91 55.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.924 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.588 ' CH2' ' HG2' ' P' ' 52' ' ' LYS . 73.0 t90 -57.35 -55.67 31.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.092 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.697 ' HA ' ' HD2' ' P' ' 52' ' ' LYS . 6.0 m-85 -47.47 -52.38 17.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.655 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.5 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -58.0 -37.2 84.52 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.121 -1.038 . . . . 15.0 112.89 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . 0.457 ' O ' HG12 ' P' ' 54' ' ' ILE . 78.7 m-20 -65.24 -77.96 0.06 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.116 0.784 . . . . 15.0 113.116 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.697 ' HD2' ' HA ' ' P' ' 49' ' ' PHE . 0.0 OUTLIER -41.14 -39.17 1.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.845 0.683 . . . . 15.0 112.845 -177.833 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.752 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 0.0 OUTLIER -53.37 -46.02 69.43 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 178.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.544 ' O ' ' HD3' ' P' ' 58' ' ' LYS . 11.4 mm -53.19 -52.79 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.244 -0.434 . . . . 15.0 110.107 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.487 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 4.1 ptt-85 -53.81 -24.81 16.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.513 -0.475 . . . . 15.0 111.486 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.759 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -59.19 -60.01 4.54 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.562 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 74.5 mmtt -46.43 -15.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.372 0.878 . . . . 15.0 113.372 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.544 ' HD3' ' O ' ' P' ' 54' ' ' ILE . 0.7 OUTLIER -81.63 -36.58 28.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.88 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' P' ' 62' ' ' LYS . 61.0 m-80 -136.5 37.89 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.666 0.617 . . . . 15.0 112.666 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.562 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 51.5 mm -13.71 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 115.046 1.498 . . . . 15.0 115.046 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.35 -25.85 27.84 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 116.188 -0.46 . . . . 15.0 113.623 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -68.03 -40.41 82.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.959 0.409 . . . . 15.0 110.389 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.759 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 39.3 m-85 -82.01 -23.49 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.948 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -56.72 -65.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.466 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.1 tt0 -53.07 -46.44 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.74 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' P' ' 69' ' ' ILE . 5.6 mm-40 -55.8 -53.66 54.03 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.25 -39.52 3.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.807 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -74.18 -33.69 63.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.015 0.436 . . . . 15.0 110.196 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.466 HG13 ' O ' ' P' ' 65' ' ' GLU . 74.9 mt -68.85 -50.22 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.832 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.463 ' HA ' ' HG2' ' P' ' 73' ' ' LYS . 13.4 m-85 -66.32 -47.55 73.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.253 0.549 . . . . 15.0 110.648 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.76 30.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.607 -0.724 . . . . 15.0 111.511 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.25 -32.47 72.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.483 0.92 . . . . 15.0 113.483 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.463 ' HG2' ' HA ' ' P' ' 70' ' ' TYR . 19.6 ptpt -68.66 -41.92 78.62 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.713 -0.395 . . . . 15.0 111.629 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' P' ' 73' ' ' LYS . 9.6 t -148.72 169.83 19.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.884 0.373 . . . . 15.0 111.174 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 70.31 9.49 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.386 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.26 126.97 40.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.774 0.321 . . . . 15.0 111.031 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -146.15 127.02 14.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.273 -0.87 . . . . 15.0 111.1 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.548 ' H21' ' H41' ' B' ' 28' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.895 0 C4'-C3'-C2' 104.984 1.784 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.906 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.873 1.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.906 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C4'-C3'-C2' 104.703 1.503 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.549 ' H6 ' " O5'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.168 0.971 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.538 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C3'-C2'-C1' 101.369 -0.95 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.764 H2'' ' OP2' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C2'-C3'-O3' 113.704 1.15 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.843 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.531 0.705 0 C3'-C2'-C1' 105.057 1.683 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.843 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 C4'-C3'-C2' 101.697 -1.503 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.823 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.893 0 C3'-C2'-C1' 99.459 -2.315 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.823 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.599 0 N19-C1'-C2' 111.949 -1.407 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.507 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 107.455 1.232 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.507 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C1'-O4'-C4' 110.821 0.8 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.665 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 104.885 1.561 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.665 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C5'-C4'-O4' 108.58 -0.513 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.512 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O5'-C5'-C4' 110.932 0.523 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.512 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C3'-C2'-C1' 102.046 -0.467 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.47 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.532 0.806 0 O4'-C1'-C2' 107.34 1.128 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.719 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 N19-C1'-C2' 115.421 0.763 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.719 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C3'-C2'-C1' 101.496 -0.86 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.707 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.078 0 C3'-C2'-C1' 98.855 -2.747 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.707 ' C7 ' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.43 0.794 0 C4'-C3'-C2' 100.39 -2.81 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.555 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.407 -1.006 0 C1'-O4'-C4' 106.785 -2.082 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.709 ' H2 ' ' CB ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C1'-O4'-C4' 107.718 -1.416 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.67 ' O2 ' ' HE2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.864 0 C3'-C2'-C1' 100.014 -1.919 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.68 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.521 -0.677 0 C2'-C3'-O3' 113.297 0.999 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.791 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.56 0 C3'-C2'-C1' 105.158 1.756 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.643 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C4'-C3' 106.378 0.778 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.568 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C3'-C2'-C1' 102.053 -0.462 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 0' ' ' MET . . . . . 0.43 ' HE1' ' P ' ' A' ' 10' ' ' ' DT' . 47.8 ttp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.855 0.359 . . . . 15.0 111.117 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.525 ' O ' ' NE ' ' P' ' 3' ' ' ARG . . . -167.05 -29.46 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.193 -0.458 . . . . 15.0 111.785 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.547 ' HB3' ' OP1' ' B' ' 24' ' ' ' DT' . 4.5 mmt-85 -48.36 89.37 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.92 -178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.654 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -158.67 133.4 8.19 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.718 0.636 . . . . 15.0 112.718 -178.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.709 ' CB ' ' H2 ' ' B' ' 23' ' ' ' DA' . 0.0 OUTLIER -178.54 -28.14 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.958 1.095 . . . . 15.0 113.958 176.665 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.663 ' C ' ' H ' ' P' ' 7' ' ' ASN . 21.2 mtt-85 -147.86 -155.7 0.65 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.552 0.614 . . . . 15.0 111.812 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.608 ' CG ' ' O ' ' P' ' 5' ' ' ARG . 31.5 ptt85 57.09 -31.82 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.089 0.956 . . . . 15.0 112.33 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.663 ' H ' ' C ' ' P' ' 5' ' ' ARG . 37.1 t30 -55.01 -90.05 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.68 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.55 ' CD2' ' CD1' ' P' ' 48' ' ' TRP . 2.6 m-30 -81.72 120.25 24.89 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.699 -0.482 . . . . 15.0 109.699 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -72.95 173.34 9.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.167 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' P' ' 10' ' ' LYS . 12.9 mptt -55.73 -30.2 60.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.782 0.325 . . . . 15.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -65.77 -51.05 62.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.38 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.59 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.599 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.491 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 44.5 p -57.09 -56.02 27.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.1 pt-20 -55.22 -42.92 73.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.467 0.651 . . . . 15.0 110.547 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.404 HD11 ' O ' ' P' ' 11' ' ' GLN . 75.6 mt -64.09 -56.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.038 -0.983 . . . . 15.0 111.804 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 80.1 mt -63.19 -47.31 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 15.0 112.813 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -60.64 -52.93 63.06 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.056 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 45.9 mt-10 -44.01 -44.97 7.66 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.719 0.295 . . . . 15.0 111.308 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.539 ' HD2' HD13 ' P' ' 34' ' ' LEU . 1.9 t80 -71.57 -40.25 70.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 15.0 110.393 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.607 ' CE1' HD22 ' P' ' 23' A LEU . 1.3 t80 -51.71 -48.74 63.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.728 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -62.77 8.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.302 0.482 . . . . 15.0 112.302 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.528 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.7 t -105.83 -24.92 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 15.0 110.571 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.526 ' O ' ' C ' ' P' ' 23' C ASN . 59.8 m170 -127.93 38.67 3.98 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.134 -0.485 . . . . 15.0 111.053 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.746 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -42.46 -62.09 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 46.6 t -58.73 -10.85 2.58 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.933 0.346 . . . . 15.0 111.933 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.526 ' C ' ' O ' ' P' ' 23' ' ' HIS . 75.2 m-80 -150.74 69.7 8.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.746 ' HD3' ' O ' ' P' ' 23' A LEU . 58.9 Cg_endo -81.16 54.1 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.876 2.384 . . . . 15.0 114.028 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.596 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.0 p90 -129.45 110.6 17.75 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 177.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.734 ' HG2' ' HE3' ' P' ' 31' ' ' LYS . 3.3 Cg_endo -46.36 -151.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.257 2.638 . . . . 15.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.671 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 53.5 m -154.73 176.93 11.83 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.138 -1.43 . . . . 15.0 107.138 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -53.13 -53.08 55.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.078 -0.649 . . . . 15.0 110.464 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.17 -26.03 61.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.815 0.302 . . . . 15.0 111.815 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.472 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -66.94 -52.07 47.47 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.734 ' HE3' ' HG2' ' P' ' 26' ' ' PRO . 12.2 mttt -55.17 -30.54 60.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.496 178.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' P' ' 36' ' ' LYS . 54.9 mt-10 -71.67 -59.49 2.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.747 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.472 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 23.9 pt-20 -57.73 -50.49 73.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.32 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.539 HD13 ' HD2' ' P' ' 19' ' ' TYR . 96.6 mt -58.29 -61.29 2.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 15.0 111.44 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' P' ' 40' ' ' ILE . . . -56.29 -30.52 62.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.834 0.679 . . . . 15.0 112.834 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.506 ' N ' ' HD3' ' P' ' 36' ' ' LYS . 0.2 OUTLIER -75.95 -46.36 30.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.984 0.897 . . . . 15.0 109.307 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -66.55 -48.14 70.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 113.804 -1.544 . . . . 15.0 111.328 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.59 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 50.3 m -75.5 -52.95 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.25 -0.887 . . . . 15.0 112.507 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.13 19.01 6.06 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.835 -0.697 . . . . 15.0 111.842 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.465 HD12 ' CE2' ' P' ' 8' ' ' PHE . 6.0 pt -103.15 -166.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.842 -0.429 . . . . 15.0 109.842 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.555 ' O ' ' N ' ' P' ' 44' ' ' GLN . 7.9 t -116.85 134.4 54.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.618 -0.882 . . . . 15.0 108.618 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.542 ' HA ' ' HB3' ' P' ' 31' ' ' LYS . 42.9 t -21.41 -77.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.105 0.409 . . . . 15.0 112.105 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 52.0 m -43.72 -28.33 0.4 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.835 0.68 . . . . 15.0 112.835 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' P' ' 41' ' ' THR . 3.4 tp60 -67.0 -37.43 84.18 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.294 0.569 . . . . 15.0 110.015 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.509 HG12 ' CD1' ' P' ' 49' ' ' PHE . 62.1 t -61.22 -57.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.394 -0.821 . . . . 15.0 111.029 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 77.5 p -54.52 -28.12 43.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.498 0.666 . . . . 15.0 109.901 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -51.38 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.793 -1.094 . . . . 15.0 108.751 178.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.551 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 63.1 t90 -57.59 -59.16 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.805 -1.089 . . . . 15.0 111.258 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.52 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 6.5 m-85 -47.99 -55.52 9.84 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.819 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.433 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -41.2 -50.85 4.42 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.987 -0.625 . . . . 15.0 113.301 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . 0.46 ' OD1' ' N7 ' ' A' ' 8' ' ' ' DA' . 1.2 t-20 -64.19 -35.37 80.59 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.741 0.275 . . . . 15.0 111.741 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.551 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.0 mmmm -52.28 -47.88 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.284 0.476 . . . . 15.0 112.284 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.657 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 6.1 ptm180 -61.99 -43.16 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.078 -0.712 . . . . 15.0 109.078 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.557 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 13.7 mm -55.03 -58.11 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.408 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 56.0 ttt-85 -52.46 -33.33 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.815 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.657 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 1.8 t80 -55.61 -60.42 3.45 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.207 0.527 . . . . 15.0 110.437 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 75.1 mmtt -47.54 -18.13 0.12 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.763 1.023 . . . . 15.0 113.763 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.557 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 3.0 mptp? -74.45 -37.83 63.14 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.979 0.418 . . . . 15.0 110.319 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' P' ' 62' ' ' LYS . 44.0 m-20 -140.93 44.25 1.81 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.893 0.701 . . . . 15.0 112.893 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.495 ' HA ' ' CE1' ' P' ' 56' ' ' TYR . 47.8 mm -13.88 -69.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 114.977 1.473 . . . . 15.0 114.977 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.05 -26.03 47.94 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 113.786 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.1 tmtm? -68.33 -41.64 80.49 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.656 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 35.7 m-85 -78.17 -27.76 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.892 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -53.66 -62.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.302 -0.629 . . . . 15.0 109.302 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.47 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -51.82 -46.61 64.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.59 179.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -55.97 -51.92 65.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.739 -0.837 . . . . 15.0 108.739 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' P' ' 71' ' ' ALA . . . -43.66 -44.27 6.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.647 -1.161 . . . . 15.0 110.612 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -75.58 -31.49 59.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.654 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.47 HG13 ' O ' ' P' ' 65' ' ' GLU . 95.5 mt -66.9 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.966 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -66.27 -32.59 74.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.61 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' P' ' 67' ' ' ALA . . . -56.9 -57.05 14.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 15.0 111.079 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.09 -23.17 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 15.0 111.895 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 8.0 mtpm? -68.91 86.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 15.0 110.928 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t -149.6 128.27 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.666 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 70.27 14.58 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.306 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' P' ' 77' ' ' THR . 9.7 p -85.08 147.62 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.484 -0.326 . . . . 15.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 77' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' P' ' 76' ' ' VAL . 8.9 t 47.83 -171.2 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 15.0 111.045 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.526 " O5'" ' C8 ' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.956 0 C4'-C3'-C2' 104.849 1.649 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.723 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.849 1.59 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.723 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C3'-C2'-C1' 101.622 -0.77 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.689 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C3'-C2'-C1' 101.824 -0.626 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.689 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 103.696 0.496 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.571 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 100.85 -1.321 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 1.046 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 105.253 1.823 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 1.046 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.384 1.167 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.708 " C2'" ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.509 -0.898 0 C3'-C2'-C1' 99.56 -2.243 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.708 ' H73' " C2'" ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.529 0.542 0 N19-C1'-C2' 111.457 -1.714 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.502 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 104.405 1.205 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.502 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 107.099 0.908 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.706 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-C1' 104.674 1.41 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.706 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 P-O3'-C3' 120.391 0.576 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.517 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O5'-C5'-C4' 110.931 0.522 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.535 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.163 -0.384 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.535 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.265 1.059 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.539 H2'' ' OP2' ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C3'-C2'-C1' 101.632 -0.763 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.539 ' OP2' H2'' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C2'-C3'-O3' 112.325 0.639 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.676 H2'' ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 98.397 -3.074 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.676 ' C7 ' H2'' ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.516 -1.204 0 C4'-C3'-C2' 99.84 -3.36 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.838 H2'' " O5'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.44 -0.555 0 O4'-C1'-C2' 108.12 1.836 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.838 " O5'" H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 N19-C1'-C2' 115.928 1.08 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 1.048 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.505 -1.117 0 O4'-C1'-N19 109.423 2.028 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.706 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 102.207 -0.993 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.808 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.438 0.51 0 C3'-C2'-C1' 104.846 1.533 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.718 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 106.255 0.655 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.506 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C3'-C2'-C1' 101.984 -0.512 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.742 0.306 . . . . 15.0 110.668 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.48 ' HB2' " H3'" ' B' ' 24' ' ' ' DT' . . . -166.25 -157.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 15.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.536 ' N ' H5'' ' B' ' 24' ' ' ' DT' . 65.2 mtt85 -47.69 -87.02 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.172 0.434 . . . . 15.0 112.172 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.564 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.1 OUTLIER -167.25 153.94 8.36 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.118 0.785 . . . . 15.0 113.118 -178.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 1.048 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.36 -60.12 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.011 -0.54 . . . . 15.0 111.836 176.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.898 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 78.2 mtp180 -170.97 171.21 5.99 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.09 -0.707 . . . . 15.0 109.09 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.572 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 18.8 ptt85 132.17 -31.87 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.242 1.017 . . . . 15.0 109.162 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.578 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 40.3 t30 -60.24 -91.76 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.761 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.578 ' CE1' ' ND2' ' P' ' 7' ' ' ASN . 1.0 OUTLIER -72.98 112.35 8.93 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.986 -0.446 . . . . 15.0 111.578 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' P' ' 10' ' ' LYS . 0.5 OUTLIER -74.78 -176.82 2.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.206 -0.452 . . . . 15.0 109.889 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.467 ' H ' ' ND2' ' P' ' 9' ' ' ASN . 31.4 mmmt -56.51 -37.3 70.24 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.837 0.351 . . . . 15.0 111.309 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.553 ' HG3' HD11 ' P' ' 15' ' ' ILE . 4.2 tp-100 -56.25 -50.61 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.219 0.533 . . . . 15.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.561 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -64.82 -46.1 83.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.746 -0.661 . . . . 15.0 111.666 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.2 p -56.09 -53.67 54.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.979 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.535 ' HA ' ' ND2' ' P' ' 17' ' ' ASN . 14.8 pt-20 -55.67 -40.47 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 15.0 110.695 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.553 HD11 ' HG3' ' P' ' 11' ' ' GLN . 47.7 mt -72.42 -56.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.469 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 70.3 mt -57.83 -40.01 79.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.252 0.464 . . . . 15.0 112.252 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.535 ' ND2' ' HA ' ' P' ' 14' ' ' GLU . 3.8 p30 -60.37 -54.57 44.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.753 -0.379 . . . . 15.0 111.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 50.7 mm-40 -42.75 -49.51 5.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 15.0 111.727 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.449 ' CD2' HD12 ' P' ' 34' ' ' LEU . 7.9 t80 -73.54 -34.57 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.569 ' CE2' HD21 ' P' ' 23' A LEU . 36.5 t80 -55.54 -48.5 74.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 15.0 111.66 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' P' ' 67' ' ' ALA . 58.6 m-85 -66.9 14.53 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.917 0.34 . . . . 15.0 111.917 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.539 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.6 t -112.68 -24.5 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 15.0 110.208 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.423 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 52.2 m170 -122.91 34.48 5.12 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.074 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.569 HD21 ' CE2' ' P' ' 20' ' ' PHE . 0.8 OUTLIER -45.63 -58.62 3.29 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.042 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -57.84 -9.71 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.692 0.282 . . . . 15.0 111.381 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.437 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 74.6 m-80 -142.51 70.19 21.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 15.0 108.457 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.639 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 31.4 Cg_exo -63.38 56.15 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.723 2.949 . . . . 15.0 113.979 -177.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.532 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.6 p90 -154.75 120.32 2.66 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.581 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.532 ' O ' ' O ' ' P' ' 25' ' ' TYR . 10.1 Cg_endo -49.95 -150.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.242 2.628 . . . . 15.0 112.409 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.565 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 45.1 t -147.78 169.48 19.66 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.153 -1.795 . . . . 15.0 106.153 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -49.96 -53.83 23.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 118.887 0.767 . . . . 15.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.0 -31.18 69.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.559 -0.292 . . . . 15.0 110.646 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -64.64 -55.46 20.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 15.0 110.754 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.565 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -59.08 -24.57 63.03 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.121 -0.632 . . . . 15.0 110.392 178.762 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.539 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 51.3 mt-10 -75.86 -60.53 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 15.0 109.923 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.08 -48.61 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.954 -0.388 . . . . 15.0 109.954 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' P' ' 49' ' ' PHE . 95.7 mt -55.26 -61.86 2.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.712 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.428 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.19 -30.77 28.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 15.0 111.845 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.5 OUTLIER -76.04 -45.02 36.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.978 0.894 . . . . 15.0 109.495 179.163 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.44 -48.03 68.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.923 -1.49 . . . . 15.0 111.962 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.561 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 4.6 p -74.12 -50.33 19.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.579 -0.737 . . . . 15.0 112.104 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.65 22.33 5.44 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.242 -0.743 . . . . 15.0 111.242 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.508 HG12 ' OG ' ' P' ' 38' ' ' SER . 21.0 pt -109.08 -162.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.521 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -121.72 145.49 47.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.495 ' C ' ' O ' ' P' ' 41' ' ' THR . 17.5 t -27.29 -74.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.551 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -43.05 -32.56 0.69 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.437 0.902 . . . . 15.0 113.437 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.521 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.5 mm-40 -66.44 -38.13 86.72 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.519 -0.472 . . . . 15.0 110.308 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.471 HG11 HD11 ' P' ' 34' ' ' LEU . 66.1 t -57.51 -55.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.291 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -54.98 -27.27 42.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.159 0.505 . . . . 15.0 110.332 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.56 -51.46 16.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.29 178.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.484 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 53.7 t90 -57.12 -59.66 4.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.432 -0.803 . . . . 15.0 110.784 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' P' ' 34' ' ' LEU . 7.3 m-85 -48.31 -57.39 6.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.952 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.562 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.72 -35.45 7.63 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.672 -0.775 . . . . 15.0 112.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.35 -34.1 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 15.0 111.202 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.515 ' HB2' ' CE1' ' P' ' 20' ' ' PHE . 4.7 mmmp? -55.25 -47.27 75.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.419 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.639 ' HD3' ' HG2' ' P' ' 24' ' ' PRO . 17.1 ptt85 -61.91 -43.99 97.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.195 0.522 . . . . 15.0 110.102 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.562 HG12 ' O ' ' P' ' 50' ' ' GLY . 28.7 mm -56.57 -69.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.865 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 15.5 ttp-105 -49.38 -28.52 5.12 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.783 0.325 . . . . 15.0 111.049 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.714 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.1 OUTLIER -57.95 -62.75 1.59 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.205 0.526 . . . . 15.0 110.096 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.686 ' HE2' ' HA ' ' P' ' 57' ' ' LYS . 9.6 mmpt? -45.78 -18.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.395 0.887 . . . . 15.0 113.395 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.8 OUTLIER -79.92 -38.34 32.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.318 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' P' ' 62' ' ' LYS . 51.5 m-20 -134.94 41.14 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.478 HD12 ' CE1' ' P' ' 56' ' ' TYR . 28.2 mm -13.79 -72.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 114.779 1.4 . . . . 15.0 114.779 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.86 -24.22 13.03 Favored Glycine 0 C--N 1.336 0.583 0 CA-C-N 116.108 -0.496 . . . . 15.0 113.972 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' P' ' 59' ' ' ASN . 4.0 ttmp? -70.15 -36.85 75.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.952 0.406 . . . . 15.0 110.036 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.714 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 36.1 m-85 -83.09 -21.04 33.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.68 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.07 -68.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.779 -0.823 . . . . 15.0 108.779 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.464 ' O ' HG13 ' P' ' 69' ' ' ILE . 6.3 mp0 -51.18 -43.42 61.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.646 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 5.5 mm-40 -58.04 -53.01 63.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.453 0.644 . . . . 15.0 109.579 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . 0.44 ' HA ' ' CD1' ' P' ' 21' ' ' TYR . . . -43.74 -44.1 6.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.943 -1.026 . . . . 15.0 111.111 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -80.75 -26.1 37.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.632 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.464 HG13 ' O ' ' P' ' 65' ' ' GLU . 35.5 mt -67.31 -58.05 7.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.576 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.455 ' HA ' ' HE3' ' P' ' 73' ' ' LYS . 85.6 m-85 -65.42 -38.27 89.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.923 -178.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.82 -54.48 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.545 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.54 4.37 1.07 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.491 0.923 . . . . 15.0 113.491 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' P' ' 70' ' ' TYR . 8.5 mtmp? -87.72 23.61 1.94 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 118.153 0.433 . . . . 15.0 111.704 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -90.77 130.17 36.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 15.0 110.603 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 67.0 18.07 10.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.069 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 7.9 p -85.38 -31.95 7.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 15.0 111.143 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 71.4 p -93.67 -40.99 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.248 -0.882 . . . . 15.0 111.193 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.519 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.885 0 C4'-C3'-C2' 104.902 1.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.536 " C1'" " O5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C3'-C2'-C1' 105.154 1.753 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.645 ' N2 ' ' N3 ' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.908 0 C4'-C3'-C2' 104.975 1.775 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.647 H2'' " O5'" ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.486 1.26 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.647 " O5'" H2'' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C3'-C2'-C1' 101.293 -1.005 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C3'-C2'-C1' 100.961 -1.242 . . . . 15.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.515 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-C2' 104.365 1.165 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.581 " O4'" ' HG2' ' P' ' 3' ' ' ARG . . . . . . . . 0 O5'--C5' 1.423 -1.068 0 C5'-C4'-O4' 108.273 -0.704 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.737 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 C3'-C2'-C1' 99.409 -2.351 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.737 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.752 0 C3'-C2'-C1' 104.923 1.588 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.539 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.522 1.292 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.539 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C1'-O4'-C4' 110.503 0.574 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.556 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.611 1.374 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.556 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C4'-C3'-C2' 103.971 0.771 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.443 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 O5'-C5'-C4' 110.912 0.509 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.454 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 102.042 -0.47 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.489 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.385 1.168 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.625 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 N19-C1'-C2' 115.785 0.991 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.625 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.755 0 C4'-C3'-C2' 104.824 1.624 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.66 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.2 0 C3'-C2'-C1' 98.895 -2.718 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.66 ' C7 ' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.445 1.101 0 C2'-C3'-O3' 114.701 1.519 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.677 H2'' " O4'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.435 -0.981 0 C3'-C2'-C1' 105.075 1.696 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.694 ' H2 ' ' CB ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 108.666 1.082 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.68 ' C2 ' ' C8 ' ' B' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 C3'-C2'-C1' 100.305 -1.71 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.707 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C2'-C3'-O3' 113.064 0.913 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.815 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.438 0.567 0 C3'-C2'-C1' 104.964 1.617 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.698 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 O4'-C4'-C3' 106.282 0.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.539 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 101.971 -0.52 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 93.5 mmm . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.873 0.368 . . . . 15.0 111.312 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.613 ' O ' ' HD3' ' P' ' 3' ' ' ARG . . . -167.83 -24.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.792 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.569 ' HA ' " O3'" ' B' ' 23' ' ' ' DA' . 10.0 mmt85 -61.99 82.47 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.891 0 O-C-N 122.121 -0.362 . . . . 15.0 110.788 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.613 ' HD3' ' O ' ' P' ' 1' ' ' ALA . 0.0 OUTLIER -171.01 145.72 2.34 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.899 0.703 . . . . 15.0 112.899 -178.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.828 ' HD2' ' HB2' ' P' ' 5' ' ' ARG . 0.0 OUTLIER -178.52 -40.34 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.895 0.702 . . . . 15.0 112.895 176.006 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.828 ' HB2' ' HD2' ' P' ' 4' ' ' LYS . 4.4 mtt-85 -148.58 141.77 25.03 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.437 0.532 . . . . 15.0 112.437 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 13.4 ptm180 139.21 -24.23 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.372 -1.286 . . . . 15.0 109.075 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' P' ' 8' ' ' PHE . 36.0 t30 -70.77 -97.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.932 -1.031 . . . . 15.0 112.468 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.524 ' CD1' HG23 ' P' ' 40' ' ' ILE . 51.2 m-85 -59.1 110.05 0.97 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 118.372 0.533 . . . . 15.0 111.346 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.8 t-20 -66.22 165.92 12.94 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.444 -0.798 . . . . 15.0 111.188 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.498 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 31.5 mmmt -53.64 -24.8 15.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.077 0.465 . . . . 15.0 110.795 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 71.2 tp60 -72.1 -47.56 50.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.488 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.606 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.21 -44.54 95.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 15.0 111.946 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.488 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 65.2 p -54.79 -56.32 20.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.911 -0.586 . . . . 15.0 112.055 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 16.6 pt-20 -54.39 -39.77 67.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.376 0.607 . . . . 15.0 110.847 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 76.2 mt -67.05 -56.47 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.129 -0.941 . . . . 15.0 112.387 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' P' ' 12' ' ' ALA . 78.0 mt -60.72 -47.48 86.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.57 0.582 . . . . 15.0 112.57 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' P' ' 13' ' ' THR . 23.5 p30 -60.98 -52.26 65.77 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.511 -0.475 . . . . 15.0 111.331 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 46.3 mt-10 -46.52 -38.25 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 15.0 110.952 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.446 ' HD2' HD13 ' P' ' 34' ' ' LEU . 1.8 t80 -78.38 -41.98 31.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.041 0.448 . . . . 15.0 110.191 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.578 ' CE2' ' HD2' ' P' ' 52' ' ' LYS . 30.7 t80 -49.88 -51.28 41.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.004 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.529 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 63.3 m-85 -58.52 7.0 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.572 0.582 . . . . 15.0 112.572 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.567 ' H ' ' C ' ' P' ' 20' ' ' PHE . 48.8 m -109.94 -22.63 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 15.0 110.511 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' P' ' 23' C ASN . 63.4 m170 -126.44 37.6 4.28 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.342 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.613 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.3 -61.97 1.45 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.937 0.347 . . . . 15.0 111.937 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 55.7 m -58.66 -12.9 4.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.049 0.388 . . . . 15.0 112.049 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.443 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 16.4 p30 -153.36 67.18 6.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.645 -0.502 . . . . 15.0 109.645 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.667 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 15.8 Cg_exo -70.11 65.46 2.0 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.276 2.651 . . . . 15.0 112.786 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.622 ' O ' ' O ' ' P' ' 26' ' ' PRO . 0.2 OUTLIER -130.04 106.21 16.55 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.862 -0.608 . . . . 15.0 109.835 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.622 ' O ' ' O ' ' P' ' 25' ' ' TYR . 10.2 Cg_endo -49.64 -150.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.389 2.06 . . . . 15.0 111.179 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.538 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 56.0 m -159.55 168.41 26.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.564 -1.643 . . . . 15.0 106.564 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -46.86 -51.59 16.31 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.156 -0.618 . . . . 15.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -69.76 -34.72 74.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.479 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -63.79 -58.15 7.71 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 121.288 -0.165 . . . . 15.0 110.874 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.538 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -57.81 -24.0 55.26 Favored 'General case' 0 N--CA 1.461 0.079 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.082 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.516 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 39.5 mt-10 -75.82 -59.12 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.485 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.536 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.21 -50.7 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.192 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.513 HD11 ' CE1' ' P' ' 49' ' ' PHE . 97.3 mt -53.49 -60.92 2.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.985 0.421 . . . . 15.0 110.349 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.426 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.88 -31.34 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.588 . . . . 15.0 112.259 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.4 OUTLIER -76.09 -46.14 30.46 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.98 0.895 . . . . 15.0 109.54 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -67.63 -45.46 75.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.871 -1.513 . . . . 15.0 111.598 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.606 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.4 m -73.9 -52.16 13.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.313 -0.858 . . . . 15.0 112.177 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 18.76 6.02 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.144 -0.782 . . . . 15.0 111.144 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.524 HG23 ' CD1' ' P' ' 8' ' ' PHE . 18.2 pt -108.93 -161.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.49 ' CG2' ' HG3' ' P' ' 44' ' ' GLN . 9.3 t -121.8 146.2 47.31 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.462 -0.94 . . . . 15.0 108.462 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.489 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 5.1 t -28.04 -74.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 123.352 0.408 . . . . 15.0 111.681 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 50.2 m -42.65 -32.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.509 0.929 . . . . 15.0 113.509 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.49 ' HG3' ' CG2' ' P' ' 41' ' ' THR . 86.7 mt-30 -66.85 -34.25 77.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.317 -0.553 . . . . 15.0 110.367 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.541 HG13 ' CD1' ' P' ' 49' ' ' PHE . 58.6 t -62.45 -58.4 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.561 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -53.22 -27.26 21.05 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.333 0.587 . . . . 15.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -73.8 -50.91 18.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.237 -0.892 . . . . 15.0 109.258 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.468 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 79.1 t90 -57.61 -58.26 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.433 -0.803 . . . . 15.0 111.02 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.541 ' CD1' HG13 ' P' ' 45' ' ' VAL . 6.3 m-85 -48.38 -58.41 4.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.612 -0.722 . . . . 15.0 111.674 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -39.19 -56.73 2.23 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.157 -0.544 . . . . 15.0 113.578 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.33 -23.19 63.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.577 0.227 . . . . 15.0 111.508 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.578 ' HD2' ' CE2' ' P' ' 20' ' ' PHE . 0.4 OUTLIER -60.19 -45.24 93.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -179.048 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.674 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 8.6 ptm180 -68.49 -42.2 78.96 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.638 -0.505 . . . . 15.0 109.638 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.602 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 18.2 mm -54.4 -51.92 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.203 -1.036 . . . . 15.0 108.203 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.455 ' CZ ' ' HB2' ' P' ' 55' ' ' ARG . 0.2 OUTLIER -53.3 -40.17 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.731 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.674 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -49.55 -60.21 3.07 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.925 -0.58 . . . . 15.0 111.127 179.475 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.564 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 60.8 mttt -52.27 -18.38 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.352 1.242 . . . . 15.0 114.352 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.602 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 1.1 mptm? -70.11 -38.04 75.5 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' P' ' 62' ' ' LYS . 2.5 m120 -139.01 45.34 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 15.0 112.881 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.564 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.8 mm -13.9 -71.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 115.109 1.522 . . . . 15.0 115.109 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.85 -23.77 23.82 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 116.094 -0.503 . . . . 15.0 113.981 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' P' ' 59' ' ' ASN . 60.9 tttm -71.22 -40.06 71.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.058 0.456 . . . . 15.0 110.257 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.607 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 38.5 m-85 -82.6 -23.89 34.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 15.0 111.685 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -64.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.42 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.7 tp10 -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.781 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 54.6 mt-10 -58.95 -52.76 64.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.281 -0.637 . . . . 15.0 109.281 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' P' ' 71' ' ' ALA . . . -43.8 -41.18 4.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.348 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -73.29 -39.17 65.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.016 0.436 . . . . 15.0 110.084 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.42 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.7 mt -59.16 -62.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.679 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.529 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.3 m-85 -66.48 -24.95 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 15.0 111.483 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' P' ' 67' ' ' ALA . . . -59.36 -56.96 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 15.0 111.352 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.15 -44.94 68.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 15.0 112.136 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.508 ' O ' ' CG2' ' P' ' 74' ' ' THR . 0.4 OUTLIER -68.96 -169.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.684 -0.235 . . . . 15.0 110.753 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' P' ' 73' ' ' LYS . 8.8 t 52.53 121.1 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.289 0.566 . . . . 15.0 111.8 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 67.42 12.96 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.336 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 10.5 p -86.08 112.42 22.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.368 -0.378 . . . . 15.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 95.0 m 62.89 -78.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.277 -0.868 . . . . 15.0 111.194 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.53 " O5'" ' C8 ' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.409 -0.876 0 C4'-C3'-C2' 104.827 1.627 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.822 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.927 1.661 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.822 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-C1' 101.697 -0.717 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.592 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C4'-C3' 106.068 0.468 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.592 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.406 0.757 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.437 " H4'" ' NH2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 101.296 -1.003 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.494 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.72 0.729 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.685 H2'' ' OP2' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-C2' 107.526 1.297 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.855 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 C3'-C2'-C1' 99.615 -2.204 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.855 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.75 0 C3'-C2'-C1' 104.697 1.426 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.524 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 104.72 1.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.524 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-C2' 106.968 0.789 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.683 " O4'" " H5'" ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 104.873 1.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.683 " H5'" " O4'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 P-O3'-C3' 120.326 0.522 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.593 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.553 0 O5'-C5'-C4' 110.845 0.461 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.624 " H1'" " O5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C1'-O4'-C4' 110.599 0.642 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.624 " O5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 OP1-P-O3' 109.737 0.73 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.816 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.183 -1.017 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.816 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 C3'-C2'-C1' 101.867 -0.595 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.686 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C4'-C3'-C2' 101.01 -2.19 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.7 H2'' ' OP2' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.443 0.951 0 C2'-C3'-O3' 114.524 1.453 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.7 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.851 0 C3'-C2'-C1' 105.247 1.819 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.556 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 101.383 -0.941 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.865 ' O2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.506 -1.084 0 C3'-C2'-C1' 100.733 -1.405 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.694 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C4'-C3' 104.272 -1.328 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.824 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.524 0.58 0 C1'-O4'-C4' 107.456 -1.603 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.68 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-C1' 101.779 -0.658 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.508 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 102.082 -0.441 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.81 0.338 . . . . 15.0 111.14 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.524 ' HB1' " C5'" ' B' ' 24' ' ' ' DT' . . . -166.82 171.3 11.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.071 0.463 . . . . 15.0 111.32 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.437 ' HB3' ' CZ ' ' P' ' 3' ' ' ARG . 98.3 mtt180 -54.48 -81.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 15.0 112.502 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.673 ' HG3' " H1'" ' A' ' 8' ' ' ' DA' . 0.1 OUTLIER -171.21 168.2 6.8 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.842 -0.343 . . . . 15.0 111.895 -178.446 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.865 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 2.5 tptm -171.8 -77.62 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 113.538 0.94 . . . . 15.0 113.538 178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.845 ' N ' ' HG3' ' P' ' 4' ' ' LYS . 38.5 ttt180 -172.97 15.99 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.005 0.743 . . . . 15.0 113.005 -171.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -81.05 -21.04 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.024 0.44 . . . . 15.0 111.013 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.46 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 51.6 t30 -55.36 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.045 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' P' ' 48' ' ' TRP . 12.1 m-85 -62.64 107.33 0.93 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 118.784 0.72 . . . . 15.0 111.17 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.58 175.76 3.94 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.866 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.473 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.2 OUTLIER -56.51 -21.38 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.334 . . . . 15.0 111.869 -179.375 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.424 ' HG2' HD11 ' P' ' 15' ' ' ILE . 49.8 tt0 -75.29 -48.17 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 15.0 110.558 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.612 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.23 -43.02 99.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.803 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -56.7 -55.07 38.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.582 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.418 ' HA ' HD22 ' P' ' 17' ' ' ASN . 0.1 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.288 0.566 . . . . 15.0 110.648 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.424 HD11 ' HG2' ' P' ' 11' ' ' GLN . 97.5 mt -71.68 -55.77 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.868 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.548 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 74.1 mt -60.89 -43.62 98.24 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' P' ' 13' ' ' THR . 17.4 p30 -60.39 -52.87 63.4 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.257 -0.577 . . . . 15.0 111.007 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 48.1 mt-10 -44.78 -36.65 3.32 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.85 0.357 . . . . 15.0 110.826 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.511 ' HD2' HD12 ' P' ' 34' ' ' LEU . 1.7 t80 -82.9 -37.45 24.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.395 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.549 ' C ' ' H ' ' P' ' 22' ' ' SER . 27.8 t80 -51.83 -51.83 53.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.313 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.474 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 66.1 m-85 -58.0 6.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.771 -0.65 . . . . 15.0 112.675 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.549 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.9 t -110.62 -21.53 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 15.0 110.846 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' P' ' 23' C ASN . 55.4 m170 -129.54 36.29 4.12 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.342 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.634 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 6.5 mt -45.89 -64.08 0.82 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.311 0.486 . . . . 15.0 112.311 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 54.1 m -60.8 -12.65 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.432 0.53 . . . . 15.0 112.432 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.523 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 15.2 p30 -155.89 70.42 5.21 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.291 . . . . 15.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.634 ' HD3' ' O ' ' P' ' 23' A LEU . 73.4 Cg_endo -75.51 83.55 1.88 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.551 2.167 . . . . 15.0 112.879 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' P' ' 23' C ASN . 10.7 m-85 -132.19 82.69 57.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.844 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.579 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 61.0 Cg_endo -61.71 94.55 0.13 Allowed 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.955 2.436 . . . . 15.0 111.548 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.475 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 55.6 m -37.58 166.42 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.118 -0.946 . . . . 15.0 111.519 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 4.5 mm-40 -44.99 -45.34 10.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.602 -0.727 . . . . 15.0 110.694 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.79 -30.54 64.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.725 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.6 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -66.22 -56.2 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.371 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.579 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 2.5 ptmt -61.08 -23.45 65.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 15.0 110.16 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.529 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 86.3 mt-10 -75.59 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 15.0 109.202 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -57.85 -46.67 84.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' P' ' 30' ' ' ALA . 94.0 mt -55.26 -60.96 2.67 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.961 -0.563 . . . . 15.0 109.918 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.51 -31.01 44.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.686 . . . . 15.0 112.242 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.529 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.51 -46.62 31.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.92 0.867 . . . . 15.0 109.378 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -66.05 -46.86 76.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 113.912 -1.495 . . . . 15.0 111.67 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.612 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 9.0 p -74.17 -51.79 14.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.182 -0.917 . . . . 15.0 112.549 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.04 6.46 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.206 -0.758 . . . . 15.0 111.206 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.559 HG12 ' OG ' ' P' ' 38' ' ' SER . 19.0 pt -106.54 -163.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.506 ' O ' ' C ' ' P' ' 42' ' ' VAL . 10.0 t -120.66 141.93 49.93 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.557 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 28.9 t -23.72 -76.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 15.0 111.955 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 50.0 m -42.38 -30.26 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.473 0.916 . . . . 15.0 113.473 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.506 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 2.9 mm100 -66.76 -35.95 81.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-O 121.106 0.479 . . . . 15.0 110.152 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.504 HG12 HD11 ' P' ' 34' ' ' LEU . 57.9 t -61.22 -58.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.514 . . . . 15.0 110.56 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -52.95 -29.02 26.39 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.38 0.61 . . . . 15.0 109.88 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -51.82 15.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.049 -0.978 . . . . 15.0 109.355 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 38.4 t90 -57.7 -60.23 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.187 -0.915 . . . . 15.0 111.241 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' P' ' 34' ' ' LEU . 7.4 m-85 -47.95 -56.62 7.19 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.435 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.523 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.25 -45.56 6.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.542 -0.837 . . . . 15.0 112.689 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -68.95 -26.65 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.476 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 3.3 mmmp? -60.23 -47.29 86.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 15.0 111.441 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.737 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 12.0 ptt85 -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 15.0 109.794 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.523 HG12 ' O ' ' P' ' 50' ' ' GLY . 24.4 mm -55.53 -58.8 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.196 -0.668 . . . . 15.0 109.196 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.477 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 48.7 mmt-85 -49.49 -38.25 29.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.895 0.379 . . . . 15.0 111.052 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.737 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 20.3 t80 -47.2 -60.66 2.33 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.274 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.6 ' HA ' HD13 ' P' ' 60' ' ' ILE . 69.3 mmtt -45.83 -23.28 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.503 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.3 OUTLIER -86.68 -40.29 15.23 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.224 0.453 . . . . 15.0 112.224 -178.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' P' ' 60' ' ' ILE . 62.2 m-20 -137.19 30.91 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.779 1.029 . . . . 15.0 113.779 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.6 HD13 ' HA ' ' P' ' 57' ' ' LYS . 7.6 mm -13.5 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 114.583 1.327 . . . . 15.0 114.583 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.48 -20.17 3.57 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.49 -0.777 . . . . 15.0 114.562 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 63.7 tttm -75.58 -35.38 60.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.021 0.439 . . . . 15.0 110.144 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 4.5 m-30 -75.13 -32.35 61.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.232 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.18 -65.06 0.71 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.954 0.406 . . . . 15.0 110.444 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.92 -52.19 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.3 mm-40 -55.3 -54.39 44.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' P' ' 63' ' ' PHE . . . -42.99 -40.31 2.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.268 -0.878 . . . . 15.0 110.636 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.75 -35.08 78.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.179 0.514 . . . . 15.0 109.717 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' P' ' 66' ' ' GLU . 62.9 mt -71.15 -45.78 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.397 -0.82 . . . . 15.0 110.642 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.47 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 16.0 m-85 -75.54 -2.72 30.39 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.338 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.47 -57.71 2.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.145 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.37 72.06 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.425 0.528 . . . . 15.0 112.425 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.631 ' O ' ' CG2' ' P' ' 74' ' ' THR . 0.0 OUTLIER -69.01 -145.6 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 121.007 -0.277 . . . . 15.0 110.795 -179.264 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.631 ' CG2' ' O ' ' P' ' 73' ' ' LYS . 1.4 t 80.29 -25.35 0.18 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.385 0.674 . . . . 15.0 111.619 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.8 -3.65 51.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.661 0.267 . . . . 15.0 111.403 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.7 157.86 3.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.849 0.357 . . . . 15.0 111.182 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 87.2 m 59.75 98.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.255 -0.878 . . . . 15.0 111.141 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.531 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.852 0 C4'-C3'-C2' 104.831 1.631 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.744 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.866 1.605 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.744 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 101.739 -0.686 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.626 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C5'-C4'-O4' 108.729 -0.419 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.626 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 103.899 0.699 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.677 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 100.317 -1.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.944 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 C3'-C2'-C1' 105.98 2.343 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.944 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.367 1.152 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.802 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.768 0 C3'-C2'-C1' 99.83 -2.05 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.802 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.828 0 C3'-C2'-C1' 104.666 1.404 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.545 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 107.545 1.313 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.545 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C1'-O4'-C4' 110.484 0.56 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.713 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.569 1.335 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.713 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 P-O3'-C3' 120.387 0.572 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.572 ' N2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 C3'-C2'-C1' 101.917 -0.559 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.572 ' N3 ' ' N2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 106.968 0.789 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.655 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.843 0 C4'-C3'-C2' 105.237 2.037 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.839 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C2'-C3'-O3' 113.919 1.229 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.839 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 P-O3'-C3' 120.572 0.727 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.693 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C4'-C3'-C2' 100.912 -2.288 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.693 ' C7 ' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -1.035 0 C4'-C3'-C2' 100.591 -2.609 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.7 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.512 -0.646 0 C4'-C3'-C2' 105.086 1.886 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.7 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.035 0 C1'-O4'-C4' 107.254 -1.747 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.665 ' H71' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.512 -0.663 0 C3'-C2'-C1' 100.519 -1.558 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.68 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C4'-C3' 103.897 -1.703 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.68 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.648 0 C3'-C2'-C1' 105.283 1.845 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.655 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C4'-C3'-C2' 104.115 0.915 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.548 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C3'-C2'-C1' 102.094 -0.433 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.533 0.206 . . . . 15.0 111.19 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.458 ' CB ' " H3'" ' B' ' 24' ' ' ' DT' . . . 79.61 155.61 0.15 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.46 -0.336 . . . . 15.0 111.3 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.545 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 33.1 mtt-85 -51.68 -92.87 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.102 0.408 . . . . 15.0 112.102 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.536 ' O ' ' HB3' ' P' ' 4' ' ' LYS . 0.1 OUTLIER -176.44 145.86 0.59 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.731 1.011 . . . . 15.0 113.731 -178.729 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.842 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER -179.79 -52.9 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.651 0.612 . . . . 15.0 112.651 174.493 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.842 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 9.6 ptm180 -154.69 156.98 37.4 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.594 -0.442 . . . . 15.0 111.797 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 19.3 ptt85 136.89 -28.43 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.47 -1.241 . . . . 15.0 108.018 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.53 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 9.5 t30 -63.3 -92.33 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.353 -1.294 . . . . 15.0 111.81 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.717 ' HE2' ' OP1' ' A' ' 8' ' ' ' DA' . 33.9 m-85 -58.9 107.21 0.5 Allowed 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 121.978 -0.451 . . . . 15.0 111.472 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 171.7 6.72 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -55.78 -20.88 16.53 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 111.907 0.336 . . . . 15.0 111.907 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.574 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 38.1 tt0 -72.44 -47.39 49.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.187 0.518 . . . . 15.0 110.239 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.6 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.88 -43.3 99.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.795 -0.639 . . . . 15.0 111.543 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 62.6 p -54.34 -56.76 15.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.646 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 22.2 pt-20 -53.49 -40.79 65.62 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.181 0.515 . . . . 15.0 111.038 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.413 HD13 ' HG2' ' P' ' 11' ' ' GLN . 51.0 mt -70.31 -55.53 14.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 15.0 112.9 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.556 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 72.8 mt -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.497 0.555 . . . . 15.0 112.497 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' P' ' 13' ' ' THR . 21.2 p30 -60.61 -53.97 50.98 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.4 -0.52 . . . . 15.0 111.752 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.485 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 97.2 mt-10 -45.32 -46.0 12.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.68 0.276 . . . . 15.0 111.439 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.42 ' CD2' HD12 ' P' ' 34' ' ' LEU . 17.0 t80 -72.58 -38.23 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 15.0 110.216 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.674 ' CZ ' ' CD2' ' P' ' 23' A LEU . 0.3 OUTLIER -53.26 -50.59 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.679 178.722 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 75.0 m-85 -57.26 5.41 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.558 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.5 t -109.56 -21.46 12.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.61 0.243 . . . . 15.0 110.827 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' P' ' 23' C ASN . 63.4 m170 -126.64 37.09 4.36 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.848 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.674 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 7.0 mt -44.8 -61.25 1.66 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.866 -0.333 . . . . 15.0 111.324 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 55.0 m -57.77 -8.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.685 0.254 . . . . 15.0 111.685 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.557 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 76.7 m-20 -150.05 65.96 7.71 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 109.629 -0.508 . . . . 15.0 109.629 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.647 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 19.5 Cg_exo -69.92 50.29 0.84 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.363 2.709 . . . . 15.0 114.152 -177.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' P' ' 26' ' ' PRO . 3.0 p90 -133.05 112.03 13.27 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.564 ' O ' ' O ' ' P' ' 25' ' ' TYR . 5.9 Cg_endo -47.2 -152.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.734 . . . . 15.0 112.935 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.535 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 59.4 m -152.94 170.75 19.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 106.458 -1.682 . . . . 15.0 106.458 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -49.32 -53.0 24.24 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 118.523 0.601 . . . . 15.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.34 -33.41 73.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.667 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.453 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -63.01 -55.85 22.12 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.098 -0.241 . . . . 15.0 110.639 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.535 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -59.64 -24.11 63.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.147 -0.621 . . . . 15.0 110.344 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.523 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.7 mt-10 -75.75 -60.31 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.634 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.7 pt-20 -58.56 -48.86 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.291 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.452 HD13 ' CZ ' ' P' ' 49' ' ' PHE . 96.2 mt -55.85 -59.83 4.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.004 0.431 . . . . 15.0 110.561 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.414 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.43 -31.14 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 15.0 112.265 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.523 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.3 OUTLIER -76.08 -46.41 29.16 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 122.022 0.915 . . . . 15.0 109.266 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -67.04 -45.32 77.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.882 -1.508 . . . . 15.0 111.437 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.6 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 25.9 m -74.2 -51.46 15.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.244 -0.889 . . . . 15.0 112.233 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.91 7.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.11 -0.796 . . . . 15.0 111.11 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.506 HG23 ' CD1' ' P' ' 8' ' ' PHE . 25.1 pt -107.04 -162.55 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.518 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 8.4 t -121.27 144.18 48.76 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.519 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 9.5 t -26.73 -74.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.914 0.387 . . . . 15.0 111.689 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 52.8 m -42.56 -31.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.293 0.849 . . . . 15.0 113.293 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.518 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 86.0 mm-40 -66.69 -35.16 79.49 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.487 -0.485 . . . . 15.0 110.314 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.462 ' CG1' ' CE1' ' P' ' 49' ' ' PHE . 61.2 t -61.92 -58.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.602 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -53.55 -27.44 26.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.285 0.564 . . . . 15.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.79 -51.13 17.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.215 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 52.3 t90 -57.64 -60.63 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.218 -0.901 . . . . 15.0 111.426 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.464 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 6.2 m-85 -47.9 -57.95 5.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.843 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.46 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -39.04 -51.71 2.68 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.996 -0.621 . . . . 15.0 113.367 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.49 -25.88 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.062 0.393 . . . . 15.0 112.062 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 31.2 mmmt -58.04 -49.39 77.03 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.554 0.205 . . . . 15.0 111.554 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.827 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 11.6 ptt85 -64.24 -42.04 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 15.0 110.021 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.584 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 27.7 mm -54.62 -54.1 25.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.332 -0.618 . . . . 15.0 109.332 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.463 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 46.4 mmm-85 -53.06 -32.3 46.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.987 0.422 . . . . 15.0 110.85 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.827 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 76.7 t80 -52.27 -62.99 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.819 -0.628 . . . . 15.0 110.765 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.628 ' HA ' HD13 ' P' ' 60' ' ' ILE . 71.7 mmtt -45.89 -22.03 0.17 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.186 0.81 . . . . 15.0 113.186 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.584 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.2 OUTLIER -87.13 -35.44 18.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.86 0.362 . . . . 15.0 110.648 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.645 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.9 p30 -134.53 31.54 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.64 HD12 ' CE2' ' P' ' 56' ' ' TYR . 39.4 mm -13.37 -69.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 114.894 1.442 . . . . 15.0 114.894 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.65 -19.46 6.54 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 114.653 0.621 . . . . 15.0 114.653 -177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.645 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 59.6 tttp -69.69 -39.64 76.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.767 0.283 . . . . 15.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.768 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.3 m-85 -78.0 -24.74 47.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.517 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -57.77 -70.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.437 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -52.09 -46.86 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.78 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 53.8 mt-10 -56.33 -53.8 53.03 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.406 0.622 . . . . 15.0 109.445 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' P' ' 71' ' ' ALA . . . -43.84 -43.67 6.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.881 -1.054 . . . . 15.0 110.551 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -70.38 -33.96 72.02 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.167 0.508 . . . . 15.0 110.288 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.437 HG13 ' O ' ' P' ' 65' ' ' GLU . 97.9 mt -67.4 -61.84 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.069 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.454 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 57.9 m-85 -66.27 -29.1 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.586 -0.733 . . . . 15.0 111.708 -178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' P' ' 67' ' ' ALA . . . -56.25 -57.26 12.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 15.0 110.888 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.77 -27.85 60.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 15.0 111.491 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.486 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 8.0 mtpm? -70.25 67.23 0.31 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.377 . . . . 15.0 111.105 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 74' ' ' THR . . . . . . . . . . . . . 71.3 p -91.86 -24.71 19.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.982 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.2 7.43 11.25 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.97 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 10.8 p -83.26 137.98 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.811 0.338 . . . . 15.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m 60.47 73.03 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.238 -0.887 . . . . 15.0 111.109 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.523 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.941 0 C4'-C3'-C2' 104.904 1.704 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.662 H2'' ' OP2' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.928 1.662 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.662 ' OP2' H2'' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 101.816 -0.631 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.591 ' N4 ' ' N6 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.341 1.129 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.591 ' N6 ' ' N4 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 101.707 -0.709 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.498 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 C2'--C1' 1.509 -0.873 0 C3'-C2'-C1' 100.192 -1.791 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.919 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.534 0.901 0 O4'-C4'-C3' 103.994 -1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.919 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.621 0 O3'-P-O5' 105.583 0.833 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.86 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.865 0 C3'-C2'-C1' 99.343 -2.398 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.86 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.529 0.563 0 N19-C1'-C2' 111.789 -1.507 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.527 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.237 1.033 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.495 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.376 0.483 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.499 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.552 1.32 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.499 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-C2' 104.16 0.96 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.445 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O5'-C5'-C4' 110.919 0.513 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.515 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 101.941 -0.542 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.515 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.519 -0.892 0 O4'-C4'-C3' 104.297 -1.303 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.53 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 101.611 -0.778 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.53 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C3'-C2'-C1' 105.329 1.878 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.612 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.806 -2.067 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.612 ' C7 ' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.52 -0.838 0 C4'-C3'-C2' 100.961 -2.239 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.866 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.256 0 N19-C1'-C2' 116.851 1.657 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.866 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 103.299 -0.369 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 1.039 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 O4'-C1'-N19 109.355 1.943 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.728 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 N19-C1'-C2' 116.083 1.177 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.864 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.439 0.595 0 O4'-C1'-C2' 107.687 1.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.763 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C4'-C3' 106.273 0.673 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.504 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 102.021 -0.485 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 0' ' ' MET . . . . . 0.497 ' CE ' ' HA ' ' P' ' 0' ' ' MET . 2.4 tpt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 121.033 0.444 . . . . 15.0 110.967 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.409 ' HB3' " H3'" ' B' ' 24' ' ' ' DT' . . . -73.72 174.59 8.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.231 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.621 ' HB3' ' CZ ' ' P' ' 3' ' ' ARG . 78.8 mtt-85 -50.91 -91.54 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.336 -0.393 . . . . 15.0 111.479 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.621 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.0 OUTLIER -176.35 166.61 2.8 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.669 -0.412 . . . . 15.0 111.735 -179.335 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 1.039 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.68 -58.9 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.711 0.634 . . . . 15.0 112.711 177.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.843 ' HB2' ' CD ' ' P' ' 4' ' ' LYS . 74.1 mtp180 -164.97 102.33 0.77 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.837 0.351 . . . . 15.0 110.317 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.467 ' HG3' ' C ' ' P' ' 5' ' ' ARG . 43.8 mtp85 -161.17 -41.1 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.66 0.743 . . . . 15.0 109.875 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.501 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 10.3 t30 -54.25 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.234 -178.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' P' ' 48' ' ' TRP . 19.0 m-85 -62.69 107.67 1.01 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 118.921 0.782 . . . . 15.0 111.349 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -69.09 176.67 3.07 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.594 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -58.12 -19.77 35.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 15.0 111.58 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -75.53 -48.78 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.245 0.545 . . . . 15.0 110.239 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.616 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.92 -40.94 97.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.688 -0.687 . . . . 15.0 111.819 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.464 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 57.7 p -56.34 -55.31 35.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 15.0 112.036 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 17.7 pt-20 -56.23 -40.23 73.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.336 0.589 . . . . 15.0 110.833 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -67.78 -56.62 12.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.272 -0.876 . . . . 15.0 112.324 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' P' ' 12' ' ' ALA . 75.4 mt -61.46 -46.61 89.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.637 0.606 . . . . 15.0 112.637 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.6 p30 -60.85 -52.22 65.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.326 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.548 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 43.6 mt-10 -46.24 -39.05 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 15.0 111.044 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.442 ' CD2' HD13 ' P' ' 34' ' ' LEU . 1.7 t80 -77.19 -41.18 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 15.0 110.184 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.579 ' CE2' HD22 ' P' ' 23' A LEU . 5.6 t80 -51.15 -46.25 61.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 15.0 111.731 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 74.0 m-85 -65.8 11.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.933 0.345 . . . . 15.0 111.933 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.523 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.0 m -110.09 -25.49 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 15.0 110.313 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' P' ' 23' C ASN . 56.6 m170 -124.66 37.19 4.45 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.926 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.694 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.2 mt -45.51 -61.78 1.55 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.493 -0.321 . . . . 15.0 111.773 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -59.56 -14.25 12.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.426 0.528 . . . . 15.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.511 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 75.6 m-80 -161.07 69.59 2.58 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 120.633 0.254 . . . . 15.0 110.37 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.694 ' HD3' ' O ' ' P' ' 23' A LEU . 67.1 Cg_endo -74.29 80.96 2.11 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.569 2.18 . . . . 15.0 112.596 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' P' ' 23' C ASN . 10.8 m-85 -125.12 90.33 51.14 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.652 -0.704 . . . . 15.0 109.923 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.829 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.4 Cg_endo -64.19 92.08 0.18 Allowed 'Trans proline' 0 CA--C 1.51 -0.696 0 C-N-CA 122.469 2.113 . . . . 15.0 110.657 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.533 ' N ' ' HB2' ' P' ' 30' ' ' ALA . 51.4 m -39.36 166.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.274 -179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.4 mt-10 -43.99 -45.31 7.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.425 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.84 -35.23 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.533 ' HB2' ' N ' ' P' ' 27' ' ' SER . . . -63.2 -57.82 9.24 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.772 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.829 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -59.65 -22.95 62.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 15.0 110.125 178.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.538 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 34.5 mt-10 -75.82 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.132 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.07 -49.42 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.5 -0.556 . . . . 15.0 109.5 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.557 HD11 ' CE1' ' P' ' 49' ' ' PHE . 95.9 mt -52.28 -61.34 2.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.93 0.395 . . . . 15.0 110.142 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.3 -30.93 52.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.021 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.8 -44.38 41.58 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.976 0.894 . . . . 15.0 109.31 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -68.87 -45.97 69.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.884 -1.507 . . . . 15.0 111.616 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.616 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 34.6 m -73.62 -52.02 14.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.422 -0.808 . . . . 15.0 112.406 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.92 20.77 5.91 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.027 -0.829 . . . . 15.0 111.027 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.493 HG23 ' CD1' ' P' ' 8' ' ' PHE . 21.7 pt -108.05 -162.89 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.523 ' O ' ' C ' ' P' ' 42' ' ' VAL . 8.8 t -119.38 141.42 49.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.445 -0.946 . . . . 15.0 108.445 177.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.564 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 15.5 t -24.13 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.376 0.423 . . . . 15.0 111.604 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 52.6 m -42.01 -30.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.355 0.872 . . . . 15.0 113.355 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.518 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 83.5 mm-40 -66.97 -33.83 76.43 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.403 -0.519 . . . . 15.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.497 HG13 ' CD1' ' P' ' 49' ' ' PHE . 60.2 t -64.46 -60.29 2.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.559 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -51.8 -26.98 10.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.338 0.59 . . . . 15.0 110.057 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -50.58 19.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.365 178.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.539 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 74.2 t90 -57.64 -59.58 4.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.493 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' P' ' 34' ' ' LEU . 7.8 m-85 -48.14 -58.82 3.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.44 -0.8 . . . . 15.0 111.83 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.471 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -38.93 -53.4 2.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.047 -0.597 . . . . 15.0 113.307 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -74.22 -23.15 59.14 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.63 0.233 . . . . 15.0 111.63 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.469 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 53.4 tptt -59.06 -42.87 91.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 15.0 110.981 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.64 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 15.7 ptt85 -71.1 -42.3 69.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.602 -0.518 . . . . 15.0 109.602 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.606 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 37.4 mm -54.68 -52.78 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 107.746 -1.205 . . . . 15.0 107.746 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -51.35 -41.65 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.242 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.692 ' HA ' ' CE2' ' P' ' 63' ' ' PHE . 1.2 t80 -51.39 -59.92 3.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.714 -0.676 . . . . 15.0 111.013 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 75.2 mmtt -46.88 -18.17 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.944 1.09 . . . . 15.0 113.944 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.606 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 3.3 mptp? -75.6 -37.55 59.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.919 0.39 . . . . 15.0 110.363 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.6 m-80 -138.24 43.05 2.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.065 0.765 . . . . 15.0 113.065 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.508 ' HA ' ' CE1' ' P' ' 56' ' ' TYR . 49.5 mm -13.59 -71.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 115.056 1.502 . . . . 15.0 115.056 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.15 -22.61 29.7 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 116.044 -0.525 . . . . 15.0 114.308 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.2 tttm -74.02 -37.64 64.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 15.0 110.329 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.692 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 86.8 m-85 -79.83 -32.77 40.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 15.0 111.599 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -53.93 -61.66 2.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.601 -0.518 . . . . 15.0 109.601 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.471 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -52.12 -45.01 64.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.709 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.2 mt-10 -57.01 -51.62 68.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.028 -0.731 . . . . 15.0 109.028 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.44 4.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.509 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -74.93 -33.59 61.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.501 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.471 HG13 ' O ' ' P' ' 65' ' ' GLU . 81.7 mt -64.83 -55.03 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.098 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.478 ' HA ' ' HD3' ' P' ' 73' ' ' LYS . 29.8 m-85 -66.23 -16.91 64.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.948 0.404 . . . . 15.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.75 -58.07 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.191 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.89 -38.94 87.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.087 0.773 . . . . 15.0 113.087 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.563 ' O ' ' CG2' ' P' ' 74' ' ' THR . 0.0 OUTLIER -68.82 -106.82 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.201 0.445 . . . . 15.0 112.201 -178.654 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.563 ' CG2' ' O ' ' P' ' 73' ' ' LYS . 12.8 t 57.99 146.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.041 0.448 . . . . 15.0 110.888 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 73.6 -77.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.1 -0.5 . . . . 15.0 110.525 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . 0.467 ' O ' HG12 ' P' ' 76' ' ' VAL . 4.3 p 43.27 94.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.208 -0.451 . . . . 15.0 112.062 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 77' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' P' ' 76' ' ' VAL . 9.8 t 46.97 54.19 9.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.948 -0.569 . . . . 15.0 111.428 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.269 -0.872 . . . . 15.0 111.117 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.522 " O5'" ' C8 ' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.926 0 C4'-C3'-C2' 104.806 1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.807 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 107.881 1.619 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.807 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 101.476 -0.874 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.646 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C3'-C2'-C1' 102.057 -0.459 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.646 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-C2' 103.804 0.604 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.455 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C4'-C3'-C2' 102.173 -1.027 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.961 " H1'" ' O ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 105.073 1.695 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.681 ' C8 ' H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.081 0.892 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.821 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.032 0 C3'-C2'-C1' 99.565 -2.239 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.821 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.717 0 C3'-C2'-C1' 104.63 1.379 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.556 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 107.559 1.326 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.556 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.507 0.576 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.656 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C3'-C2'-C1' 104.784 1.489 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.656 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 P-O3'-C3' 120.28 0.484 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.541 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 O5'-C5'-C4' 110.942 0.53 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.541 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C3'-C2'-C1' 101.988 -0.508 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.565 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 105.053 1.68 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.956 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.406 -1.067 0 C1'-O4'-C4' 107.105 -1.854 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.956 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-C2' 104.343 1.143 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.66 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 C3'-C2'-C1' 99.505 -2.282 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.66 ' C7 ' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -1.002 0 C4'-C3'-C2' 100.77 -2.43 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.777 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.96 0 C4'-C3'-C2' 105.331 2.131 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.783 ' C8 ' ' H71' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 O4'-C1'-C2' 104.441 -1.508 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 1.036 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-N19 109.048 1.56 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.691 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C4'-C3' 104.177 -1.423 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.704 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.438 0.538 0 C3'-C2'-C1' 104.934 1.596 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.658 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C4'-C3' 106.238 0.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.513 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 101.977 -0.517 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 0' ' ' MET . . . . . 0.504 ' CE ' ' HA ' ' P' ' 0' ' ' MET . 2.6 tpt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.983 0.42 . . . . 15.0 110.988 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.411 ' HB3' " H3'" ' B' ' 24' ' ' ' DT' . . . -73.32 171.68 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 15.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.549 ' HB3' ' CZ ' ' P' ' 3' ' ' ARG . 64.6 mtt-85 -51.53 -92.01 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.424 -0.353 . . . . 15.0 111.224 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.549 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.0 OUTLIER -175.71 170.79 2.82 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.457 -0.497 . . . . 15.0 112.105 179.465 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 1.036 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.38 -49.29 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 115.756 -0.656 . . . . 15.0 111.064 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.897 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 12.0 mtp-105 -161.08 -122.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 15.0 109.458 -178.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER 44.92 5.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.736 0.643 . . . . 15.0 112.736 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.658 ' H ' ' C ' ' P' ' 5' ' ' ARG . 44.0 t30 -87.13 -83.81 0.19 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.986 -1.007 . . . . 15.0 109.886 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.615 ' CE2' ' HB2' ' P' ' 48' ' ' TRP . 1.2 m-30 -85.17 117.35 24.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.882 -0.414 . . . . 15.0 109.882 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -70.93 173.89 6.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.042 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -54.92 -26.85 38.87 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.766 0.317 . . . . 15.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.546 ' HG3' HD12 ' P' ' 15' ' ' ILE . 3.9 tp-100 -68.29 -49.07 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 15.0 109.888 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.613 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.64 -48.16 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.516 -0.766 . . . . 15.0 111.351 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 73.4 p -53.16 -57.31 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 15.0 111.568 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.6 pt-20 -53.93 -40.69 66.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.276 0.56 . . . . 15.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.546 HD12 ' HG3' ' P' ' 11' ' ' GLN . 37.4 mt -67.72 -54.45 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.507 -0.77 . . . . 15.0 111.989 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.476 ' CD1' ' CD2' ' P' ' 8' ' ' PHE . 80.6 mt -63.07 -48.92 76.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.536 0.569 . . . . 15.0 112.536 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.4 p30 -60.97 -53.11 61.29 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.372 -0.531 . . . . 15.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.503 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.9 mt-10 -47.32 -37.36 10.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.742 0.306 . . . . 15.0 111.025 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.4 ' OH ' ' CE1' ' P' ' 23' ' ' HIS . 19.4 t80 -82.93 -37.69 23.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.988 0.423 . . . . 15.0 109.919 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' P' ' 23' A LEU . 25.2 t80 -49.47 -48.92 47.38 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.73 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 71.4 m-85 -59.86 7.6 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.849 -0.614 . . . . 15.0 112.485 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.548 ' H ' ' C ' ' P' ' 20' ' ' PHE . 52.5 m -113.7 -23.47 9.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.7 0.286 . . . . 15.0 110.557 179.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.443 ' HB3' ' OD1' ' P' ' 23' C ASN . 46.4 m170 -120.32 33.69 5.5 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.29 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.616 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.5 mt -47.13 -62.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.408 . . . . 15.0 111.57 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -59.23 -14.81 12.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 15.0 112.031 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.486 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 12.0 p30 -142.25 72.59 21.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.072 0.463 . . . . 15.0 110.365 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' O ' ' P' ' 23' A LEU . 45.8 Cg_endo -66.23 63.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.355 2.703 . . . . 15.0 113.713 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.486 ' CZ ' ' HB2' ' P' ' 23' C ASN . 0.1 OUTLIER -154.21 99.3 2.51 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.331 -0.618 . . . . 15.0 109.331 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.672 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 95.6 Cg_endo -71.67 116.44 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.348 2.699 . . . . 15.0 113.239 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' P' ' 30' ' ' ALA . 47.6 t -37.03 158.45 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.11 -0.95 . . . . 15.0 111.083 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.501 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -45.69 -42.7 11.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.716 -0.674 . . . . 15.0 110.82 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -75.73 -24.79 56.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.872 0.368 . . . . 15.0 110.753 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.585 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -67.85 -55.22 13.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.099 -0.5 . . . . 15.0 109.844 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.672 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -61.29 -21.74 64.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 15.0 110.205 178.477 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 89.0 mt-10 -75.43 -60.2 2.41 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 177.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.61 -46.16 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.263 -0.643 . . . . 15.0 109.263 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' P' ' 30' ' ' ALA . 96.4 mt -55.8 -61.27 2.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.11 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.54 -29.61 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 15.0 112.408 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.8 OUTLIER -75.34 -46.72 31.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.014 0.912 . . . . 15.0 108.652 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.83 -50.48 66.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.842 -1.526 . . . . 15.0 110.426 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.613 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 36.5 p -74.05 -53.0 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.904 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.32 5.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 15.0 112.169 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.54 HG12 ' OG ' ' P' ' 38' ' ' SER . 4.3 pt -101.56 -168.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.464 0.173 . . . . 15.0 110.695 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.522 ' O ' ' N ' ' P' ' 43' ' ' SER . 5.1 t -108.56 84.84 2.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.589 0.233 . . . . 15.0 110.773 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.564 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 16.4 t 19.59 -81.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 124.195 0.934 . . . . 15.0 112.066 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 43' ' ' SER . . . . . 0.522 ' N ' ' O ' ' P' ' 41' ' ' THR . 50.6 m -45.49 -23.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.336 -0.393 . . . . 15.0 111.906 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.431 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 5.2 tp60 -67.2 -36.12 81.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.534 HG11 HD11 ' P' ' 34' ' ' LEU . 60.1 t -59.06 -56.82 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.946 -1.024 . . . . 15.0 110.16 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -56.12 -27.84 55.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.468 0.651 . . . . 15.0 110.052 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' P' ' 44' ' ' GLN . 3.9 m120 -73.34 -52.13 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.829 -1.078 . . . . 15.0 109.479 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.615 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 83.8 t90 -57.95 -53.56 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.306 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.493 ' CD1' HG13 ' P' ' 45' ' ' VAL . 6.8 m-85 -47.84 -53.02 16.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.45 -0.796 . . . . 15.0 111.19 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -54.09 -33.19 50.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.983 -1.103 . . . . 15.0 111.319 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . 0.505 ' ND2' ' N7 ' ' A' ' 8' ' ' ' DA' . 20.0 t-20 -77.49 -37.11 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 15.0 110.813 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.475 ' HG3' ' CD2' ' P' ' 20' ' ' PHE . 27.8 tptp -60.3 -31.38 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 15.0 111.693 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.597 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.2 ptm180 -73.71 -38.09 64.95 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.099 -0.704 . . . . 15.0 109.099 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.561 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 7.7 mm -55.07 -56.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.51 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -49.87 -39.91 40.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.893 0.377 . . . . 15.0 110.717 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.655 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -51.49 -60.6 2.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.756 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 75.0 mmtt -47.07 -19.03 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.202 1.186 . . . . 15.0 114.202 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.561 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 3.2 mptp? -75.3 -38.54 60.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.922 0.391 . . . . 15.0 110.635 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' P' ' 62' ' ' LYS . 47.5 m-20 -139.32 42.93 2.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.882 0.697 . . . . 15.0 112.882 -178.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.498 HD13 ' CZ ' ' P' ' 56' ' ' TYR . 45.2 mm -13.58 -71.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 114.914 1.45 . . . . 15.0 114.914 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.46 -25.03 26.02 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 116.153 -0.476 . . . . 15.0 113.626 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.4 tmtm? -71.19 -39.89 71.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.655 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 44.2 m-85 -79.54 -31.16 42.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 15.0 111.617 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -51.48 -64.4 0.83 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.433 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.4 tt0 -51.93 -44.07 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.616 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 55.2 mt-10 -57.04 -52.01 66.97 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.14 -40.41 3.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.759 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -73.76 -35.02 64.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 15.0 110.343 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.433 HG13 ' O ' ' P' ' 65' ' ' GLU . 77.2 mt -66.62 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.804 -0.634 . . . . 15.0 111.025 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.438 ' HA ' ' CG ' ' P' ' 73' ' ' LYS . 10.5 m-85 -76.35 -25.94 55.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.2 -57.41 12.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 15.0 111.267 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.44 -48.06 69.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.883 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.552 ' O ' ' CG2' ' P' ' 74' ' ' THR . 0.2 OUTLIER -68.92 -117.54 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.616 -0.265 . . . . 15.0 111.208 -179.601 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.552 ' CG2' ' O ' ' P' ' 73' ' ' LYS . 14.2 t 56.13 149.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.125 0.488 . . . . 15.0 111.432 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 73.02 7.67 5.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.425 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 8.1 p -86.17 78.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.943 0.402 . . . . 15.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -146.24 98.19 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 15.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.182 -0.913 . . . . 15.0 111.103 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.518 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C4'-C3'-C2' 104.839 1.639 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.78 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.95 1.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.78 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 101.519 -0.843 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.619 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C1'-O4'-C4' 110.342 0.459 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.619 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C4'-C3'-C2' 104.004 0.804 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.588 ' O2 ' ' HE2' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C3'-C2'-C1' 99.688 -2.151 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.768 " C2'" ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 106.075 2.411 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.768 ' C8 ' " C2'" ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C4'-C3'-C2' 104.377 1.177 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.815 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.455 0.84 0 C3'-C2'-C1' 99.925 -1.982 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.815 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.874 0 C3'-C2'-C1' 104.531 1.308 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.494 ' C8 ' " H5'" ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.52 1.291 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.453 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 103.971 0.771 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.633 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 104.7 1.428 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.633 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C5'-C4'-O4' 108.534 -0.541 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.527 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O5'-C5'-C4' 110.889 0.492 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.56 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 101.811 -0.635 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.56 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.547 1.315 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.482 H2'' ' CD1' ' P' ' 54' ' ' ILE . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 O4'-C1'-C2' 107.026 0.841 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.5 ' H2 ' ' O2 ' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C3'-C2'-C1' 101.488 -0.866 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.685 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C3'-C2'-C1' 99.822 -2.056 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.685 ' C7 ' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.519 -0.883 0 C4'-C3'-C2' 100.733 -2.467 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.75 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.896 0 C4'-C3'-C2' 105.427 2.227 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.754 ' C8 ' ' H71' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 104.716 -1.258 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 1.074 ' O2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 100.551 -1.535 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.68 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C4'-C3' 103.918 -1.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.68 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.604 0 C3'-C2'-C1' 104.926 1.59 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.65 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 C4'-C3'-C2' 103.902 0.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.534 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C3'-C2'-C1' 101.947 -0.538 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.64 0.257 . . . . 15.0 111.37 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.42 ' HB1' " H3'" ' B' ' 24' ' ' ' DT' . . . 78.78 168.84 0.2 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.369 -0.378 . . . . 15.0 111.34 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.571 ' HB3' ' CZ ' ' P' ' 3' ' ' ARG . 88.8 mtt180 -52.91 -95.64 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.019 -0.537 . . . . 15.0 112.276 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.571 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.0 OUTLIER -163.13 154.93 17.75 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.614 -0.434 . . . . 15.0 112.006 -179.235 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 1.074 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 2.5 tptp -177.32 -64.58 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 120.97 0.414 . . . . 15.0 110.939 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.674 ' N ' ' HG3' ' P' ' 4' ' ' LYS . 3.1 mtt-85 -157.32 138.51 13.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.403 -0.817 . . . . 15.0 111.711 -176.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 14.7 ptm180 157.87 -28.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.107 -0.951 . . . . 15.0 109.175 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 19.1 t30 -66.06 -98.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.074 -0.966 . . . . 15.0 111.195 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' P' ' 44' ' ' GLN . 12.5 m-85 -56.17 100.35 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 118.575 0.625 . . . . 15.0 111.093 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -64.79 170.76 3.9 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.453 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -52.2 -21.23 3.17 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.753 0.311 . . . . 15.0 111.482 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 50.7 tt0 -77.93 -45.43 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.138 0.494 . . . . 15.0 110.268 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.626 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.62 -43.38 97.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 15.0 112.051 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.6 p -57.6 -55.22 37.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.706 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.5 pt-20 -52.36 -40.36 61.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.449 0.642 . . . . 15.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.428 HD12 ' HG2' ' P' ' 11' ' ' GLN . 75.1 mt -69.61 -55.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 15.0 113.104 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.441 HD13 ' CG ' ' P' ' 48' ' ' TRP . 89.2 mt -60.08 -47.51 85.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.81 0.67 . . . . 15.0 112.81 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.557 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.1 p30 -60.98 -52.32 65.52 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.307 -0.557 . . . . 15.0 111.319 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 47.9 mt-10 -46.36 -39.8 10.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.751 0.31 . . . . 15.0 110.918 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.409 ' OH ' ' CE1' ' P' ' 23' ' ' HIS . 1.9 t80 -77.93 -39.96 41.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.108 0.48 . . . . 15.0 110.166 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.57 ' CE2' HD22 ' P' ' 23' A LEU . 5.6 t80 -51.83 -51.36 57.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.492 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 66.5 m-85 -59.08 5.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.487 0.551 . . . . 15.0 112.487 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.539 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.2 m -108.88 -23.64 11.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 15.0 110.53 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' P' ' 23' C ASN . 59.1 m170 -125.89 38.4 4.16 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.134 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.663 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.5 mt -45.79 -63.48 0.96 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.11 0.411 . . . . 15.0 112.11 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 56.3 m -58.99 -13.48 6.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.21 0.448 . . . . 15.0 112.21 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.49 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 15.9 p-10 -157.89 72.07 4.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.689 0.28 . . . . 15.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.663 ' HD3' ' O ' ' P' ' 23' A LEU . 58.7 Cg_endo -72.43 81.43 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.475 2.117 . . . . 15.0 112.059 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' P' ' 23' C ASN . 18.9 m-85 -128.62 89.0 50.6 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.841 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 72.2 Cg_endo -65.16 89.61 0.2 Allowed 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 122.67 2.247 . . . . 15.0 111.032 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.527 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 55.9 m -35.52 166.36 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.968 0.793 . . . . 15.0 111.609 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.2 mt-10 -44.35 -45.8 9.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.483 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -30.33 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.583 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.527 ' HB3' ' N ' ' P' ' 27' ' ' SER . . . -67.15 -57.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.217 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.841 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -60.45 -22.99 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.148 0.499 . . . . 15.0 109.795 178.473 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.536 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.0 mt-10 -75.87 -60.67 2.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.337 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.7 pt-20 -59.59 -47.58 85.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' P' ' 49' ' ' PHE . 96.5 mt -53.54 -61.5 2.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.074 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.413 ' HA ' HG13 ' P' ' 40' ' ' ILE . . . -56.21 -29.43 60.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 15.0 112.105 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.536 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -76.1 -47.14 25.61 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.107 0.956 . . . . 15.0 109.273 179.328 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -67.47 -44.62 78.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.751 -1.568 . . . . 15.0 111.389 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.626 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 46.6 m -73.89 -54.09 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.383 -0.826 . . . . 15.0 112.471 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.43 15.83 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.43 -0.668 . . . . 15.0 111.43 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.445 HG22 ' CD1' ' P' ' 8' ' ' PHE . 12.2 pt -104.4 -166.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.6 t -116.81 137.55 52.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.63 -0.878 . . . . 15.0 108.63 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.549 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 32.2 t -21.46 -78.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.066 0.395 . . . . 15.0 112.066 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 46.2 m -43.16 -29.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 15.0 112.396 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 52.1 tp60 -67.06 -37.8 84.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.134 0.492 . . . . 15.0 110.003 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' P' ' 49' ' ' PHE . 74.9 t -60.04 -55.35 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.97 -22.16 24.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.234 0.54 . . . . 15.0 110.685 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -74.05 -50.29 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.361 -0.836 . . . . 15.0 109.848 178.512 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.524 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 76.6 t90 -57.5 -63.31 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.209 -0.905 . . . . 15.0 112.213 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' P' ' 34' ' ' LEU . 47.5 m-85 -47.72 -56.7 6.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.233 -0.894 . . . . 15.0 112.303 -178.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.446 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.55 -47.65 7.22 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.557 -0.83 . . . . 15.0 112.442 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . 0.453 ' HA ' HG12 ' P' ' 54' ' ' ILE . 48.2 t30 -73.69 -30.59 62.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 15.0 111.053 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.416 ' HG3' ' CE1' ' P' ' 20' ' ' PHE . 21.4 tptm -60.26 -43.78 95.87 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.334 -0.394 . . . . 15.0 112.046 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.866 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.5 ptm180 -65.38 -40.01 92.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.094 -0.706 . . . . 15.0 109.094 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.521 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 4.5 mm -53.42 -54.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.322 -0.621 . . . . 15.0 109.322 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.474 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 67.2 mtp180 -51.55 -31.64 25.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.794 0.33 . . . . 15.0 111.257 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.866 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.4 OUTLIER -50.6 -63.46 1.12 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.637 0.732 . . . . 15.0 110.475 179.002 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.482 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 70.9 mmtt -47.54 -22.21 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.59 -1.186 . . . . 15.0 113.488 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.6 OUTLIER -77.78 -40.12 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.005 0.431 . . . . 15.0 110.55 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' P' ' 60' ' ' ILE . 59.2 m-20 -133.89 41.24 3.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.941 0.719 . . . . 15.0 112.941 -178.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.497 HD13 ' CE1' ' P' ' 56' ' ' TYR . 41.3 mm -13.8 -72.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 114.834 1.42 . . . . 15.0 114.834 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.9 45.06 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 114.543 0.577 . . . . 15.0 114.543 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.0 tttm -70.57 -41.07 72.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.26 0.552 . . . . 15.0 110.193 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.77 ' CD2' ' HA ' ' P' ' 56' ' ' TYR . 88.9 m-85 -77.35 -32.62 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.874 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -53.9 -63.77 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.871 0.367 . . . . 15.0 110.327 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.42 -44.25 62.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.769 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.85 -50.94 72.1 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' P' ' 71' ' ' ALA . . . -43.81 -42.98 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.908 -1.042 . . . . 15.0 110.536 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.36 -35.91 68.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.064 0.459 . . . . 15.0 110.387 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.22 -61.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.944 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.492 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.1 m-85 -66.26 -30.37 70.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.888 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' P' ' 67' ' ' ALA . . . -57.82 -57.45 12.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 15.0 111.253 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.22 -47.66 68.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 15.0 112.051 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.509 ' O ' ' OG1' ' P' ' 74' ' ' THR . 17.6 ptmt -68.86 -112.88 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.55 -0.296 . . . . 15.0 111.469 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' P' ' 73' ' ' LYS . 42.8 p 62.13 138.32 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.015 0.436 . . . . 15.0 110.93 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 70.71 11.42 7.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.557 . . . . 15.0 111.311 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 9.8 p -85.92 -22.41 7.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.285 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 8.5 t -93.13 -28.27 16.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.452 -0.34 . . . . 15.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.252 -0.88 . . . . 15.0 111.084 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.531 " O5'" ' C8 ' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.936 0 C4'-C3'-C2' 104.824 1.624 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.829 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.896 1.633 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.829 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 101.568 -0.809 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.667 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 102.198 -0.359 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.667 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-C2' 103.71 0.51 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.725 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 100.646 -1.467 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.909 " H1'" ' O ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C3'-C2'-C1' 105.014 1.653 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.797 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O4'-C1'-C2' 107.033 0.849 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.722 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.983 0 C3'-C2'-C1' 99.447 -2.324 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.722 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.53 0.651 0 C3'-C2'-C1' 104.717 1.441 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.549 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.5 0.572 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.824 " H1'" ' OP1' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.342 -0.858 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.824 ' OP1' " H1'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.608 1.371 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.595 " O5'" " H4'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C4'-C3'-C2' 104.193 0.993 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.574 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 O4'-C1'-C2' 106.816 0.651 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.574 ' N3 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 106.796 0.633 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.554 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.422 0.515 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.772 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C4'-C3'-C2' 102.148 -1.052 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.772 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 C3'-C2'-C1' 101.771 -0.663 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.671 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 101.022 -2.178 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.735 H2'' ' OP2' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.535 1.03 0 C2'-C3'-O3' 114.672 1.508 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.735 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.407 -1.033 0 C4'-C3'-C2' 105.097 1.897 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.686 ' C8 ' ' H71' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C3'-C2'-C1' 101.09 -1.15 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 1.015 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 O4'-C1'-N19 109.271 1.838 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.699 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C4'-C3' 103.642 -1.958 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.719 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.523 0.525 0 C3'-C2'-C1' 104.939 1.599 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.637 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C4'-C3' 106.177 0.577 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.505 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.172 0.465 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.795 0.331 . . . . 15.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . -72.55 155.78 39.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -51.85 -82.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.773 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.608 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -176.64 175.78 1.65 Allowed 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.42 -0.112 . . . . 15.0 110.823 -179.169 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 1.015 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.74 -44.26 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.3 0.852 . . . . 15.0 113.3 179.207 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.898 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 25.9 mtp85 -164.54 -40.55 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.658 0.266 . . . . 15.0 111.09 -177.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -28.94 -34.38 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.471 -0.786 . . . . 15.0 112.29 -178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.547 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 64.6 t30 -56.14 -95.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.785 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.562 ' CE1' ' OP1' ' A' ' 8' ' ' ' DA' . 4.2 m-85 -67.79 107.46 2.61 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 118.696 0.68 . . . . 15.0 111.867 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.9 t-20 -63.28 167.35 5.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.619 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.493 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 64.0 mttp -56.61 -23.5 41.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.093 0.473 . . . . 15.0 110.594 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.518 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -70.82 -48.11 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.256 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.598 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.91 -36.86 82.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.417 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 75.2 p -61.31 -54.27 46.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 15.0 111.844 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 18.6 pt-20 -57.0 -44.17 82.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.313 0.578 . . . . 15.0 110.64 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 52.8 mt -59.88 -61.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.104 -0.953 . . . . 15.0 111.882 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.489 ' CB ' ' CZ3' ' P' ' 48' ' ' TRP . 55.2 mt -58.04 -45.68 86.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.458 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.478 ' HB3' ' HE1' ' P' ' 21' ' ' TYR . 42.9 m-20 -48.05 -64.73 0.71 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.77 0.319 . . . . 15.0 111.244 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' P' ' 70' ' ' TYR . 51.8 mt-10 -39.82 -42.1 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.826 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' P' ' 34' ' ' LEU . 1.9 t80 -79.74 -35.65 38.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.53 ' C ' ' H ' ' P' ' 22' ' ' SER . 19.3 t80 -53.08 -51.7 60.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.621 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.491 ' CE1' ' CD2' ' P' ' 70' ' ' TYR . 42.1 m-85 -63.97 10.64 0.05 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.315 0.487 . . . . 15.0 112.315 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.53 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.1 t -109.65 -22.96 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 15.0 110.064 178.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.488 ' HB3' ' OD1' ' P' ' 23' C ASN . 47.5 m170 -126.72 34.8 4.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.071 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.723 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.88 -61.74 1.61 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.059 0.392 . . . . 15.0 112.059 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 53.7 m -58.37 -13.45 5.36 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.847 0.314 . . . . 15.0 111.847 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.56 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 5.4 p30 -142.94 71.71 18.87 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.499 -0.926 . . . . 15.0 108.499 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.723 ' HD3' ' O ' ' P' ' 23' A LEU . 37.7 Cg_endo -70.43 67.26 2.14 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.89 2.393 . . . . 15.0 113.746 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' P' ' 23' C ASN . 8.1 p90 -153.34 120.56 2.98 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.959 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.486 ' HG3' ' CG1' ' P' ' 45' ' ' VAL . 17.9 Cg_endo -54.96 -152.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.271 2.647 . . . . 15.0 112.492 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.571 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 53.6 m -147.27 169.45 19.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.999 -1.852 . . . . 15.0 105.999 178.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -49.61 -52.47 30.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 118.965 0.802 . . . . 15.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -70.39 -30.75 67.72 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.737 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.488 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -66.39 -56.7 9.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.708 -0.224 . . . . 15.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.571 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -58.94 -24.48 62.54 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 120.113 -0.635 . . . . 15.0 110.233 178.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.548 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.5 mt-10 -76.03 -60.33 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 15.0 109.939 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.488 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.15 -48.03 81.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 15.0 110.258 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.497 HD13 ' CZ ' ' P' ' 49' ' ' PHE . 96.0 mt -56.02 -60.47 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.186 0.517 . . . . 15.0 110.569 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.11 -28.2 38.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.487 -0.779 . . . . 15.0 112.424 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.623 ' N ' ' HD3' ' P' ' 36' ' ' LYS . 0.8 OUTLIER -76.24 -45.6 32.13 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.136 0.97 . . . . 15.0 109.142 179.325 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -67.42 -48.1 68.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.593 -1.639 . . . . 15.0 111.832 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.598 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 42.7 m -74.01 -52.63 12.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.762 -0.654 . . . . 15.0 112.261 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.12 20.07 5.72 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.152 -0.779 . . . . 15.0 111.152 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.475 HD11 ' CE2' ' P' ' 8' ' ' PHE . 9.4 pt -105.15 -165.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.487 -0.561 . . . . 15.0 109.487 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.495 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.3 t -120.11 139.51 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.55 -0.908 . . . . 15.0 108.55 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.512 ' HA ' ' HB2' ' P' ' 31' ' ' LYS . 9.0 t -23.82 -75.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -44.06 -30.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.524 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 2.6 mm100 -66.83 -40.86 88.12 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.128 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' P' ' 49' ' ' PHE . 87.7 t -54.42 -54.21 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.811 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.09 -27.63 46.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.295 0.569 . . . . 15.0 110.391 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.8 -51.33 16.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.232 -0.894 . . . . 15.0 109.26 178.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.549 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 64.0 t90 -57.83 -58.15 9.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.925 -1.034 . . . . 15.0 111.717 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.497 ' CZ ' HD13 ' P' ' 34' ' ' LEU . 7.8 m-85 -47.89 -55.35 10.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.493 -0.776 . . . . 15.0 111.993 -178.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.457 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -51.42 -38.12 41.44 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.474 -0.87 . . . . 15.0 112.846 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.31 -36.09 78.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.655 0.264 . . . . 15.0 111.701 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.549 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.2 mmmt -60.13 -41.28 92.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.776 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 5.2 ptm180 -61.36 -42.36 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.423 0.63 . . . . 15.0 109.436 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.532 ' CD1' H2'' ' B' ' 18' ' ' ' DC' . 9.1 mm -54.16 -62.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.064 -177.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.641 ' NH2' ' N7 ' ' A' ' 7' ' ' ' DG' . 42.7 mtt85 -53.41 -29.14 33.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.798 0.296 . . . . 15.0 111.798 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.776 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -52.24 -62.75 1.44 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.682 0.753 . . . . 15.0 109.82 178.202 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.513 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 72.5 mmtt -48.04 -19.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.516 -1.22 . . . . 15.0 114.04 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.547 ' HD3' ' HA ' ' P' ' 55' ' ' ARG . 0.8 OUTLIER -77.26 -39.0 49.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.041 0.448 . . . . 15.0 110.616 -179.312 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' P' ' 62' ' ' LYS . 57.2 m-20 -135.82 41.66 2.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.724 0.638 . . . . 15.0 112.724 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.513 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 43.3 mm -13.91 -71.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 114.769 1.396 . . . . 15.0 114.769 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.29 43.25 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 116.063 -0.517 . . . . 15.0 114.192 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' P' ' 62' ' ' LYS . 5.9 tmtm? -70.84 -40.93 72.11 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.378 -0.601 . . . . 15.0 109.378 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.694 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 94.3 m-85 -73.81 -35.37 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.847 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -50.94 -61.54 2.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 15.0 109.931 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.413 ' O ' HG13 ' P' ' 69' ' ' ILE . 89.1 tt0 -50.03 -44.6 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.597 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.414 ' HB3' ' CE2' ' P' ' 70' ' ' TYR . 49.8 mt-10 -56.55 -50.57 71.49 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' P' ' 71' ' ' ALA . . . -43.86 -45.88 7.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.462 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -70.51 -30.58 67.39 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.941 0.4 . . . . 15.0 110.751 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.413 HG13 ' O ' ' P' ' 65' ' ' GLU . 93.7 mt -70.85 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.038 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.491 ' CD2' ' CE1' ' P' ' 21' ' ' TYR . 56.8 m-85 -66.5 -13.64 61.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.645 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' P' ' 67' ' ' ALA . . . -75.85 -60.16 2.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 15.0 110.628 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.51 -25.94 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.676 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.458 ' NZ ' ' HB2' ' P' ' 73' ' ' LYS . 0.1 OUTLIER -99.24 36.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.573 -0.285 . . . . 15.0 111.591 -179.643 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 74' ' ' THR . . . . . . . . . . . . . 40.1 p -89.97 150.43 22.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.777 0.322 . . . . 15.0 110.801 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 68.79 17.36 8.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 15.0 111.386 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -85.48 -35.29 9.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.331 . . . . 15.0 111.056 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 86.7 m 60.71 85.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.275 -0.869 . . . . 15.0 111.134 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.53 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.953 0 C4'-C3'-C2' 104.834 1.634 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.731 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.863 1.603 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.731 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 101.514 -0.847 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.488 ' C6 ' H2'' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C5'-C4'-O4' 108.678 -0.451 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.873 0 C1'-O4'-C4' 107.979 -1.229 . . . . 15.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.645 ' O2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 100.547 -1.538 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.676 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C1'-O4'-C4' 110.818 0.799 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.676 ' C8 ' H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-C2' 107.581 1.347 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.707 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.509 -0.864 0 C3'-C2'-C1' 99.787 -2.081 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.707 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.768 0 C3'-C2'-C1' 104.935 1.596 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.499 ' C8 ' " H5'" ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 104.714 1.439 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.445 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 104.009 0.809 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.706 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.556 1.324 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.706 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 P-O3'-C3' 120.393 0.578 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.503 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 O5'-C5'-C4' 110.855 0.468 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.503 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 101.614 -0.775 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.673 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C2'-C3'-O3' 113.515 1.08 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.673 " O5'" " H1'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 N19-C1'-C2' 115.874 1.047 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.644 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 C3'-C2'-C1' 101.841 -0.613 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.652 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 99.299 -2.429 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.743 H2'' ' OP2' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.517 -1.102 0 C4'-C3'-C2' 100.052 -3.148 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.846 H2'' " O5'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.524 0.59 0 O4'-C1'-C2' 108.123 1.839 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.846 " O5'" H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.806 0 C4'-C3'-C2' 104.596 1.396 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.769 ' O2 ' " H5'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.145 0 C3'-C2'-C1' 99.943 -1.969 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.769 " H5'" ' O2 ' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.521 -0.714 0 O4'-C4'-C3' 103.726 -1.874 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.65 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.411 -0.657 0 C3'-C2'-C1' 105.248 1.82 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.632 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C4'-C3'-C2' 104.03 0.83 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.548 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C3'-C2'-C1' 102.063 -0.455 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.031 0.443 . . . . 15.0 111.451 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . -165.95 29.62 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.556 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.693 ' HA ' ' P ' ' B' ' 24' ' ' ' DT' . 27.6 mmm-85 -62.87 41.49 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.631 1.345 . . . . 15.0 114.631 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.658 ' CZ ' " H5'" ' A' ' 9' ' ' ' DT' . 0.0 OUTLIER -177.89 -173.88 0.41 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.114 -0.366 . . . . 15.0 110.228 178.376 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.848 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER -179.23 -43.97 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.433 0.901 . . . . 15.0 113.433 176.181 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.848 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 9.8 ptm180 -148.78 142.22 25.28 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.408 0.623 . . . . 15.0 112.248 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 2.0 ptm85 150.73 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.214 -1.357 . . . . 15.0 108.142 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.533 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 8.7 t30 -61.46 -92.58 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.548 -1.206 . . . . 15.0 111.472 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' P' ' 44' ' ' GLN . 34.5 m-85 -60.25 109.43 0.98 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.263 0.483 . . . . 15.0 110.73 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.77 171.08 9.75 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.4 ' HB2' ' NZ ' ' P' ' 10' ' ' LYS . 10.0 mtmp? -53.99 -24.65 17.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.702 0.287 . . . . 15.0 111.604 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 67.4 tp60 -72.35 -47.96 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.608 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.1 -44.11 97.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.566 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.475 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 72.2 p -54.24 -56.97 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.752 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.7 pt-20 -53.49 -41.63 66.44 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.411 0.624 . . . . 15.0 110.924 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.406 HD12 ' HG3' ' P' ' 11' ' ' GLN . 69.6 mt -67.14 -56.39 13.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.304 -0.862 . . . . 15.0 112.657 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' P' ' 12' ' ' ALA . 79.1 mt -60.2 -48.68 80.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.552 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.3 p30 -60.32 -53.01 62.69 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.152 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.552 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 65.1 mm-40 -44.06 -39.31 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 15.0 110.909 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.428 ' HD2' HD13 ' P' ' 34' ' ' LEU . 1.9 t80 -80.05 -39.1 30.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.76 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.605 ' CE1' HD21 ' P' ' 23' A LEU . 1.2 t80 -53.33 -51.0 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.808 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 69.6 m-85 -60.83 8.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.41 0.522 . . . . 15.0 112.41 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.551 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.9 t -105.42 -22.27 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 15.0 110.43 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' P' ' 23' C ASN . 65.7 m170 -129.4 35.29 4.26 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.283 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.688 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.5 mt -39.97 -63.05 0.64 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.074 0.398 . . . . 15.0 112.074 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 80.5 p -58.39 -9.41 1.56 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.443 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 18.1 p30 -160.51 65.74 2.36 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.943 0.402 . . . . 15.0 109.963 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.688 ' HD3' ' O ' ' P' ' 23' A LEU . 8.1 Cg_exo -72.98 67.76 4.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.0 2.467 . . . . 15.0 112.244 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.638 ' O ' ' O ' ' P' ' 26' ' ' PRO . 11.8 m-85 -124.97 103.04 30.83 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.356 -0.838 . . . . 15.0 109.545 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.638 ' O ' ' O ' ' P' ' 25' ' ' TYR . 6.7 Cg_endo -47.73 -151.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.556 2.17 . . . . 15.0 111.786 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.566 ' O ' ' CD ' ' P' ' 31' ' ' LYS . 54.1 m -158.52 169.85 23.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 106.753 -1.573 . . . . 15.0 106.753 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 66.7 mm-40 -47.77 -51.64 21.6 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.311 -0.556 . . . . 15.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -70.14 -33.8 72.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 15.0 110.581 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.535 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -64.0 -56.96 11.27 Favored 'General case' 0 CA--C 1.523 -0.077 0 C-N-CA 121.179 -0.208 . . . . 15.0 110.84 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.566 ' CD ' ' O ' ' P' ' 27' ' ' SER . 0.0 OUTLIER -58.12 -24.26 58.07 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.164 -0.614 . . . . 15.0 109.933 178.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.496 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 40.8 mt-10 -75.76 -59.95 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.669 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.535 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.5 pt-20 -58.84 -49.68 76.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.13 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' P' ' 49' ' ' PHE . 97.0 mt -55.31 -60.18 3.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.845 0.355 . . . . 15.0 110.43 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.89 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.04 -46.92 26.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 122.019 0.914 . . . . 15.0 109.256 179.322 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -67.82 -44.46 77.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 113.839 -1.528 . . . . 15.0 111.392 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.608 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 43.2 m -73.94 -52.38 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.277 -0.874 . . . . 15.0 112.289 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.65 15.56 7.41 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.256 -0.738 . . . . 15.0 111.256 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' P' ' 8' ' ' PHE . 18.4 pt -105.77 -164.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.519 ' O ' ' N ' ' P' ' 44' ' ' GLN . 8.6 t -118.39 141.26 48.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.513 ' C ' ' O ' ' P' ' 41' ' ' THR . 5.0 t -25.23 -76.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.734 0.302 . . . . 15.0 111.608 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 51.0 m -42.77 -29.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.715 0.635 . . . . 15.0 112.715 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.563 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 24.2 tp60 -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.303 0.573 . . . . 15.0 109.834 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.524 HG13 ' CD1' ' P' ' 49' ' ' PHE . 58.8 t -64.51 -58.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.92 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -52.55 -25.08 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.361 0.6 . . . . 15.0 110.142 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.73 -50.23 21.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.053 177.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.507 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 71.5 t90 -58.46 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.188 -0.915 . . . . 15.0 111.901 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.544 ' CE1' HD11 ' P' ' 34' ' ' LEU . 6.8 m-85 -48.0 -60.23 2.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.715 -0.675 . . . . 15.0 112.684 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.534 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -44.57 -46.74 8.86 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.71 -0.757 . . . . 15.0 112.926 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.38 -30.5 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.751 0.278 . . . . 15.0 111.751 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.496 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 21.7 tptm -59.98 -39.71 86.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.896 0.332 . . . . 15.0 111.896 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.655 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.9 ptm85 -70.04 -39.43 75.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.291 0.567 . . . . 15.0 109.53 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.609 ' O ' ' HD3' ' P' ' 58' ' ' LYS . 14.7 mm -54.11 -53.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.13 -0.693 . . . . 15.0 109.13 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 38.2 mmt-85 -55.63 -33.73 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.131 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.704 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.1 t80 -52.59 -59.57 4.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.156 0.503 . . . . 15.0 110.44 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.575 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 44.7 mttt -52.21 -19.79 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.995 1.109 . . . . 15.0 113.995 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.609 ' HD3' ' O ' ' P' ' 54' ' ' ILE . 3.1 mptp? -70.88 -38.81 73.08 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' P' ' 62' ' ' LYS . 58.4 m-20 -138.01 41.47 2.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.453 0.909 . . . . 15.0 113.453 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.575 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.0 mm -13.95 -70.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.402 1.26 . . . . 15.0 114.402 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.74 -25.11 35.26 Favored Glycine 0 C--N 1.335 0.521 0 CA-C-N 115.88 -0.6 . . . . 15.0 114.118 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' P' ' 59' ' ' ASN . 39.9 ttmt -72.93 -39.46 66.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.121 0.486 . . . . 15.0 110.089 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.704 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.0 m-85 -74.88 -31.7 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -56.01 -59.73 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.41 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.8 tp10 -52.92 -49.15 66.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.507 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 65.7 mm-40 -55.46 -54.52 42.79 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.07 -41.68 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -69.42 -37.36 77.42 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 15.0 110.004 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' P' ' 66' ' ' GLU . 76.5 mt -66.73 -43.3 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 15.0 110.202 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.483 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 14.2 m-85 -73.15 -7.01 49.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.88 -0.6 . . . . 15.0 111.424 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.46 -56.74 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 15.0 111.434 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.53 -23.99 61.87 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.713 0.635 . . . . 15.0 112.713 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.544 ' O ' ' OG1' ' P' ' 74' ' ' THR . 22.5 ptmt -68.92 -144.88 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.823 -0.351 . . . . 15.0 110.958 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.544 ' OG1' ' O ' ' P' ' 73' ' ' LYS . 13.8 p 76.37 -11.83 1.11 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.989 0.516 . . . . 15.0 111.674 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.68 2.09 35.32 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.67 0.272 . . . . 15.0 111.235 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.98 117.49 29.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.422 -0.354 . . . . 15.0 111.288 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -146.41 125.89 13.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.264 -0.874 . . . . 15.0 111.103 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.525 " O5'" ' C8 ' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.409 -0.86 0 C4'-C3'-C2' 104.806 1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.819 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.922 1.656 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.819 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 101.717 -0.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.643 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C1'-O4'-C4' 110.35 0.464 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.643 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 103.808 0.608 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.615 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C3'-C2'-C1' 100.94 -1.257 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.865 " H1'" ' O ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C3'-C2'-C1' 104.862 1.545 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.805 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 107.048 0.862 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.928 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.516 -2.274 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.928 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.823 0 N19-C1'-C2' 112.007 -1.371 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.529 " H5'" H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-C2' 107.554 1.321 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.529 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 106.819 0.654 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.583 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 107.664 1.422 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.583 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C4'-C3'-C2' 103.926 0.726 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.447 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.656 0 O5'-C5'-C4' 110.915 0.511 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.491 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C1'-O4'-C4' 110.309 0.435 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.491 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.398 1.18 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.748 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 101.877 -0.588 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.748 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C3'-C2'-C1' 101.142 -1.113 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.708 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 99.828 -2.051 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.807 H2'' ' OP2' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.535 0.97 0 C2'-C3'-O3' 114.357 1.392 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.807 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 O4'-C1'-C2' 108.14 1.855 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.692 ' C8 ' ' H71' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 N19-C1'-C2' 116.507 1.442 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 1.036 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.84 0 O4'-C1'-N19 109.084 1.605 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.704 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C4'-C3' 103.767 -1.833 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.706 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.438 0.529 0 C3'-C2'-C1' 104.98 1.628 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.627 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C4'-C3' 106.216 0.616 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.512 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 C3'-C2'-C1' 102.052 -0.463 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.801 0.334 . . . . 15.0 111.265 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.428 ' HB1' " H3'" ' B' ' 24' ' ' ' DT' . . . -167.02 158.91 12.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.467 . . . . 15.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.492 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 66.6 mtt85 -52.0 -85.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 15.0 112.271 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.633 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -176.37 -179.55 1.07 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.295 0.48 . . . . 15.0 112.295 -178.336 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 1.036 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.47 -49.18 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.127 177.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.81 ' HD3' ' HE3' ' P' ' 4' ' ' LYS . 28.9 mtp85 -159.86 -37.23 0.06 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.085 0.402 . . . . 15.0 112.085 -177.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -31.0 -31.22 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.969 0.508 . . . . 15.0 112.204 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.546 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 65.7 t30 -55.71 -94.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.393 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' P' ' 48' ' ' TRP . 5.0 m-85 -69.21 108.51 3.67 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.672 0.669 . . . . 15.0 111.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -67.78 174.26 3.75 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 9.9 mtmp? -58.1 -17.7 19.94 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 40.1 tt0 -74.1 -48.09 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 15.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.657 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.67 -43.04 94.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.888 -0.597 . . . . 15.0 111.802 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.482 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 54.3 p -55.66 -56.25 22.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.014 -0.539 . . . . 15.0 111.737 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.3 pt-20 -54.17 -38.55 65.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.213 0.53 . . . . 15.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' P' ' 38' ' ' SER . 49.4 mt -73.27 -54.56 15.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.837 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.508 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 73.4 mt -62.26 -43.92 97.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -178.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 22.5 p30 -60.43 -53.0 62.81 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.244 -0.583 . . . . 15.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 96.8 mt-10 -46.04 -45.33 15.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 15.0 111.061 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -71.35 -41.08 70.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 15.0 110.038 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.584 ' CZ ' ' CD2' ' P' ' 23' A LEU . 0.5 OUTLIER -52.49 -49.47 64.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.992 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.4 m-85 -61.05 14.19 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.107 0.78 . . . . 15.0 113.107 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.535 ' H ' ' C ' ' P' ' 20' ' ' PHE . 80.9 p -115.96 -20.87 9.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.893 0.315 . . . . 15.0 110.903 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' P' ' 24' ' ' PRO . 60.5 m170 -129.47 34.56 4.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.624 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.584 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 1.3 mt -39.77 -58.09 1.42 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.893 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 52.3 m -64.61 -12.28 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.582 0.586 . . . . 15.0 112.582 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.514 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 45.2 t30 -165.13 60.94 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.702 0.286 . . . . 15.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.569 ' N ' ' O ' ' P' ' 23' ' ' HIS . 7.4 Cg_exo -73.36 83.72 1.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.995 2.463 . . . . 15.0 111.959 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.569 ' HD1' ' C ' ' P' ' 24' ' ' PRO . 2.5 m-30 -121.46 92.38 48.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.714 -0.847 . . . . 15.0 108.714 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.831 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.2 Cg_endo -63.73 91.12 0.16 Allowed 'Trans proline' 0 CA--C 1.509 -0.736 0 C-N-CA 122.837 2.358 . . . . 15.0 111.217 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.514 ' N ' ' HB2' ' P' ' 30' ' ' ALA . 46.7 t -41.22 168.74 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.229 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -43.91 -46.66 8.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.678 -0.692 . . . . 15.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.65 -35.55 75.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.386 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.553 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -62.89 -58.28 7.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.835 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.831 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -60.42 -22.83 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.972 0.415 . . . . 15.0 110.367 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.532 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 37.7 mt-10 -75.82 -59.58 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' P' ' 34' ' ' LEU . 16.7 pt-20 -58.64 -49.29 78.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.766 -0.457 . . . . 15.0 109.766 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' P' ' 30' ' ' ALA . 96.1 mt -52.98 -60.91 2.69 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 121.117 0.484 . . . . 15.0 109.929 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.477 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.91 -30.92 59.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.606 -0.725 . . . . 15.0 112.453 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.87 -45.38 35.88 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 122.083 0.945 . . . . 15.0 109.298 179.304 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -67.61 -46.99 70.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 113.77 -1.559 . . . . 15.0 111.712 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.657 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 61.1 m -74.13 -53.03 10.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 15.0 112.627 -178.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.14 20.67 5.13 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.202 -0.759 . . . . 15.0 111.202 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' P' ' 35' ' ' ALA . 9.7 pt -107.01 -165.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.492 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.2 t -119.85 140.02 51.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.505 -0.924 . . . . 15.0 108.505 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.594 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 10.0 t -24.36 -75.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.133 0.492 . . . . 15.0 112.202 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 49.0 m -43.07 -30.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.317 0.858 . . . . 15.0 113.317 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.544 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 2.7 mm100 -66.73 -41.0 88.6 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.4 -0.52 . . . . 15.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' P' ' 49' ' ' PHE . 79.3 t -53.73 -54.43 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.637 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.33 -28.76 55.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.228 0.537 . . . . 15.0 110.399 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.79 -51.93 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.35 -0.841 . . . . 15.0 109.622 178.858 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.6 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 54.8 t90 -56.97 -58.02 9.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.343 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.488 ' CZ ' HD12 ' P' ' 34' ' ' LEU . 7.6 m-85 -47.92 -54.69 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.165 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.481 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -50.51 -38.7 35.61 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.55 -0.833 . . . . 15.0 112.909 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . 0.411 ' HA ' HG12 ' P' ' 54' ' ' ILE . 78.4 m-20 -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.811 0.3 . . . . 15.0 111.811 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.554 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.3 mmmm -53.01 -40.06 63.57 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.904 0.335 . . . . 15.0 111.904 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.841 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.5 ptp180 -66.5 -38.96 88.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 15.0 109.167 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.556 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 13.8 mm -55.5 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.474 -0.784 . . . . 15.0 109.049 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 27.2 mmm180 -49.64 -32.48 13.17 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.088 0.47 . . . . 15.0 110.603 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.841 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 68.9 t80 -53.73 -62.73 1.46 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.365 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.605 ' HA ' HD13 ' P' ' 60' ' ' ILE . 72.4 mmtt -45.67 -21.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.402 0.89 . . . . 15.0 113.402 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.556 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.3 OUTLIER -87.31 -36.1 18.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 15.0 110.865 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.632 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.1 p30 -134.93 30.2 3.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.846 1.054 . . . . 15.0 113.846 -176.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.605 HD13 ' HA ' ' P' ' 57' ' ' LYS . 38.3 mm -13.37 -68.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 114.818 1.414 . . . . 15.0 114.818 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.31 -21.87 9.36 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 114.365 0.506 . . . . 15.0 114.365 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.632 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 1.5 tmtp? -69.59 -39.12 77.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.698 0.285 . . . . 15.0 110.719 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.717 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.6 m-85 -77.52 -24.0 50.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -62.48 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.722 -0.391 . . . . 15.0 110.281 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.453 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.0 tt0 -51.28 -48.22 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 15.0 110.252 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 64.1 mm-40 -59.35 -51.86 68.12 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.408 -0.59 . . . . 15.0 109.408 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' P' ' 63' ' ' PHE . . . -43.79 -42.43 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.131 -0.941 . . . . 15.0 110.135 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.46 -38.43 77.75 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 121.111 0.481 . . . . 15.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.453 HG13 ' O ' ' P' ' 65' ' ' GLU . 78.2 mt -63.44 -46.67 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.788 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.456 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 17.2 m-85 -73.31 -7.65 52.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.572 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.83 -58.58 2.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.976 0.417 . . . . 15.0 111.187 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.43 -23.29 57.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 15.0 112.074 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' P' ' 73' ' ' LYS . 0.1 OUTLIER -88.34 52.88 2.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.874 0.369 . . . . 15.0 111.648 -179.405 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 74' ' ' THR . . . . . . . . . . . . . 52.4 p -89.94 147.33 23.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.47 -0.332 . . . . 15.0 110.727 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 67.86 20.46 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.325 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . 0.457 ' O ' ' CG2' ' P' ' 77' ' ' THR . 11.0 p -85.23 -45.86 17.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.557 -0.292 . . . . 15.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 77' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' P' ' 76' ' ' VAL . 9.5 t 47.61 37.79 7.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.404 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.2 -0.905 . . . . 15.0 111.11 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.516 " O5'" ' C8 ' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.409 -0.85 0 C4'-C3'-C2' 104.806 1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.726 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.95 1.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.726 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-C1' 101.774 -0.661 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.476 ' C6 ' H2'' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C1'-O4'-C4' 110.329 0.449 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.561 ' C2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.51 -0.818 0 C3'-C2'-C1' 101.208 -1.066 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.689 ' O2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.964 0 C3'-C2'-C1' 100.181 -1.799 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 1.061 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.512 -0.573 0 C4'-C3'-C2' 101.792 -1.408 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 1.061 ' C8 ' H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 99.11 -2.564 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.9 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.307 0 C3'-C2'-C1' 99.273 -2.448 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.9 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.584 0 N19-C1'-C2' 111.911 -1.431 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.44 " C5'" " H1'" ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.354 1.14 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.429 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 C1'-O4'-C4' 110.338 0.456 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.364 1.149 . . . . 15.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.41 -0.799 0 C4'-C3'-C2' 104.156 0.956 . . . . 15.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.457 ' N3 ' " O4'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 O5'-C5'-C4' 110.919 0.514 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.588 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-C1' 101.8 -0.643 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.588 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.52 -0.792 0 O4'-C4'-C3' 104.08 -1.52 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.772 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C2'-C3'-O3' 113.214 0.968 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.772 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 C3'-C2'-C1' 101.532 -0.834 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.699 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 98.911 -2.707 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.699 ' C7 ' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -0.989 0 C4'-C3'-C2' 100.652 -2.548 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.526 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.954 0 C3'-C2'-C1' 104.763 1.473 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.611 " O3'" ' HA ' ' P' ' 2' ' ' ARG . . . . . . . . 0 C2'--C1' 1.51 -0.818 0 O4'-C1'-N19 108.579 0.974 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.652 ' C2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 C3'-C2'-C1' 100.698 -1.43 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.686 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-N19 107.001 -0.998 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.712 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.439 0.597 0 C3'-C2'-C1' 105.211 1.794 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.657 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C4'-C3' 106.393 0.793 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.51 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C3'-C2'-C1' 102.018 -0.487 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 0' ' ' MET . . . . . 0.878 ' O ' " H4'" ' A' ' 9' ' ' ' DT' . 4.7 mmt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.717 0.294 . . . . 15.0 111.032 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.538 ' HA ' ' NH2' ' P' ' 3' ' ' ARG . . . -70.21 -34.11 72.51 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.13 0.491 . . . . 15.0 111.213 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.611 ' HA ' " O3'" ' B' ' 23' ' ' ' DA' . 11.5 mmt85 -51.31 85.37 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.406 -0.816 . . . . 15.0 111.579 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' P' ' 3' ' ' ARG . 0.1 OUTLIER -156.75 156.17 32.87 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.414 -179.564 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.81 ' O ' " H5'" ' A' ' 8' ' ' ' DA' . 9.6 tptm -177.25 -73.47 0.01 OUTLIER 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 112.329 0.492 . . . . 15.0 112.329 177.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.766 ' HB3' ' HE2' ' P' ' 4' ' ' LYS . 12.5 ptm180 -148.88 159.3 44.3 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 113.039 0.755 . . . . 15.0 113.039 -177.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 6.8 ptm180 142.96 -25.19 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 113.701 -1.591 . . . . 15.0 108.211 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 9.7 t30 -64.29 -93.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.2 -1.364 . . . . 15.0 112.616 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.555 ' CE2' ' ND2' ' P' ' 7' ' ' ASN . 49.2 m-85 -61.04 109.04 0.97 Allowed 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 121.995 -0.441 . . . . 15.0 111.139 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -69.0 175.46 3.71 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.329 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -59.47 -15.11 15.45 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.201 0.445 . . . . 15.0 112.201 -179.06 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.7 tp-100 -78.63 -47.36 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.252 0.549 . . . . 15.0 110.073 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.619 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.12 -42.77 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.566 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.0 p -54.98 -56.08 23.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.655 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.0 pt-20 -54.46 -38.83 66.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.22 0.534 . . . . 15.0 110.992 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 67.2 mt -71.61 -54.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 15.0 112.534 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' P' ' 12' ' ' ALA . 76.6 mt -61.36 -46.4 90.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.237 0.458 . . . . 15.0 112.237 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -61.28 -52.4 64.89 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.465 -0.494 . . . . 15.0 111.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.2 mt-10 -47.95 -39.16 18.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 15.0 111.032 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.407 ' CD2' HD21 ' P' ' 34' ' ' LEU . 14.9 t80 -79.57 -38.43 34.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.595 ' CZ ' ' CD2' ' P' ' 23' A LEU . 21.4 t80 -51.18 -49.53 60.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.491 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.474 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 61.5 m-85 -61.48 9.12 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.3 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.548 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.8 t -111.93 -24.74 9.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 15.0 110.512 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' P' ' 24' ' ' PRO . 54.1 m170 -123.06 35.53 4.85 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.814 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.595 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.3 mt -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.825 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.7 t -59.69 -18.15 40.04 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.124 0.416 . . . . 15.0 112.124 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.466 ' HB2' ' CE2' ' P' ' 25' ' ' TYR . 17.7 p30 -155.59 66.74 4.73 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 15.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.59 ' HD3' ' O ' ' P' ' 23' A LEU . 17.4 Cg_exo -68.18 87.87 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.887 2.391 . . . . 15.0 112.089 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' P' ' 23' C ASN . 15.8 m-85 -132.99 86.26 43.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.795 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.665 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.5 Cg_endo -64.05 86.14 0.15 Allowed 'Trans proline' 0 CA--C 1.51 -0.684 0 C-N-CA 122.388 2.059 . . . . 15.0 110.35 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.563 ' N ' ' HB2' ' P' ' 30' ' ' ALA . 44.1 t -39.88 168.91 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.464 -0.789 . . . . 15.0 111.368 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -44.14 -46.89 8.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.302 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -70.43 -32.85 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.721 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.563 ' HB2' ' N ' ' P' ' 27' ' ' SER . . . -67.26 -58.24 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 15.0 110.545 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.665 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 3.2 ptmt -59.39 -23.97 63.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.043 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.528 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.4 mt-10 -75.51 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.8 pt-20 -58.17 -48.85 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.188 -0.671 . . . . 15.0 109.188 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' P' ' 30' ' ' ALA . 96.0 mt -53.07 -61.75 2.1 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 15.0 109.98 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.443 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.75 -31.6 49.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 15.0 112.078 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.96 -44.57 39.23 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.967 0.889 . . . . 15.0 109.254 179.483 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -68.03 -46.61 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 113.89 -1.505 . . . . 15.0 111.449 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.619 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.4 m -73.65 -52.47 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.375 -0.83 . . . . 15.0 112.222 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.75 21.93 5.21 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.933 -0.867 . . . . 15.0 110.933 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.537 HG21 ' CD1' ' P' ' 8' ' ' PHE . 14.6 pt -109.76 -162.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.503 ' O ' ' C ' ' P' ' 42' ' ' VAL . 11.1 t -120.92 143.37 49.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.556 -0.905 . . . . 15.0 108.556 177.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.57 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 24.0 t -26.0 -75.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.454 0.471 . . . . 15.0 111.643 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 53.0 m -42.6 -31.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.415 0.894 . . . . 15.0 113.415 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.479 ' HG3' ' CG2' ' P' ' 41' ' ' THR . 85.8 mt-30 -67.04 -35.91 80.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.422 -0.511 . . . . 15.0 110.238 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.512 HG13 ' CD1' ' P' ' 34' ' ' LEU . 59.1 t -61.93 -58.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.458 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -54.37 -26.56 30.85 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.337 0.589 . . . . 15.0 110.028 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -51.03 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.207 -0.906 . . . . 15.0 109.151 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.471 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 70.9 t90 -57.29 -59.92 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.849 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.527 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 7.7 m-85 -48.44 -55.66 10.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.536 -0.756 . . . . 15.0 110.618 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.503 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -33.6 -65.65 0.29 Allowed Glycine 0 CA--C 1.519 0.322 0 CA-C-N 116.09 -0.504 . . . . 15.0 113.229 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -71.81 -18.48 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.882 0.327 . . . . 15.0 111.882 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.522 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 54.6 tptt -58.76 -41.91 87.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.635 0.255 . . . . 15.0 111.191 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.584 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.3 ptt-85 -76.1 -40.42 53.04 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.998 -0.742 . . . . 15.0 108.998 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.602 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 17.9 mm -54.72 -53.28 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 N-CA-C 107.323 -1.362 . . . . 15.0 107.323 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.425 ' CA ' ' HD3' ' P' ' 58' ' ' LYS . 0.0 OUTLIER -51.6 -44.13 62.73 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.514 -0.766 . . . . 15.0 109.745 177.651 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.591 ' HA ' ' CZ ' ' P' ' 63' ' ' PHE . 1.2 t80 -48.91 -57.26 6.72 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.992 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.551 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 77.8 mttt -52.29 -18.0 1.38 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.198 1.185 . . . . 15.0 114.198 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.602 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 0.9 OUTLIER -69.12 -36.89 78.0 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.888 -0.782 . . . . 15.0 108.888 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' P' ' 62' ' ' LYS . 38.0 m-80 -140.54 46.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.397 -0.819 . . . . 15.0 113.176 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.551 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 48.4 mm -13.79 -71.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 115.079 1.511 . . . . 15.0 115.079 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.76 -26.19 57.18 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 116.048 -0.524 . . . . 15.0 114.236 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' P' ' 59' ' ' ASN . 1.2 tmtp? -66.14 -39.76 90.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.951 0.405 . . . . 15.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.591 ' CZ ' ' HA ' ' P' ' 56' ' ' TYR . 31.5 m-85 -79.66 -21.46 44.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.293 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -60.81 -58.8 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.426 ' O ' HG13 ' P' ' 69' ' ' ILE . 40.9 tp10 -52.42 -49.01 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 15.0 109.811 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' P' ' 69' ' ' ILE . 65.5 mm-40 -57.4 -51.91 67.51 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.049 -0.723 . . . . 15.0 109.049 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.34 -41.79 4.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.888 -1.051 . . . . 15.0 110.491 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -72.51 -35.63 68.15 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.943 0.402 . . . . 15.0 110.412 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.426 HG13 ' O ' ' P' ' 65' ' ' GLU . 75.7 mt -64.48 -55.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.565 . . . . 15.0 110.975 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.44 ' CG ' ' CE2' ' P' ' 21' ' ' TYR . 32.6 m-85 -66.61 -24.38 66.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.67 -59.45 3.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.278 -0.419 . . . . 15.0 111.188 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.47 -22.46 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 15.0 112.213 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' P' ' 74' ' ' THR . 19.5 ptpt -94.65 164.5 12.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.585 0.231 . . . . 15.0 111.212 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' P' ' 73' ' ' LYS . 8.9 t 52.13 125.45 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.7 -0.682 . . . . 15.0 112.082 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 70.58 9.89 7.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.679 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 11.6 p -86.1 -45.62 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 15.0 111.059 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 8.7 t -94.75 84.44 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.313 -0.851 . . . . 15.0 111.109 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . 0.924 H2'' " O5'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.789 0 C4'-C3'-C2' 104.611 1.411 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.924 " O5'" H2'' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 105.279 1.842 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.651 ' N2 ' ' N3 ' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.407 -0.964 0 C1'-O4'-C4' 108.046 -1.182 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.686 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 C1'-O4'-C4' 110.318 0.442 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.686 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C3'-C2'-C1' 101.712 -0.706 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.656 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C3'-C2'-C1' 100.694 -1.433 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.788 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 C3'-C2'-C1' 105.099 1.714 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.788 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-C2' 107.147 0.952 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.876 ' C6 ' ' H73' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C3'-C2'-C1' 99.042 -2.613 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.876 ' H73' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.748 0 N19-C1'-C2' 112.027 -1.358 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.52 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 104.642 1.442 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.52 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 106.878 0.707 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.629 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 107.66 1.418 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.629 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C5'-C4'-O4' 108.612 -0.493 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.442 ' N3 ' " O4'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O5'-C5'-C4' 110.99 0.564 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.466 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 101.859 -0.601 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.466 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.219 1.018 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . 0.704 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C2'-C3'-O3' 112.816 0.821 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.704 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-C1' 101.718 -0.701 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . 0.667 " H2'" ' C7 ' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C3'-C2'-C1' 99.312 -2.42 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . 0.667 ' C7 ' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.517 -1.054 0 C4'-C3'-C2' 100.566 -2.634 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.799 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.407 -0.982 0 C3'-C2'-C1' 105.102 1.716 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . 0.799 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 100.403 -1.64 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.778 " C1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.923 0 C3'-C2'-C1' 100.165 -1.811 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ' DG' . . . . . 0.66 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C4'-C3' 104.372 -1.228 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ' DC' . . . . . 0.66 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C3'-C2'-C1' 105.367 1.905 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.651 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C4'-C3'-C2' 104.05 0.85 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . 0.523 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 101.924 -0.554 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.945 0.402 . . . . 15.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.577 ' CB ' " H3'" ' B' ' 24' ' ' ' DT' . . . -73.66 -174.27 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 15.0 111.494 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . 0.528 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 18.8 ptp180 -55.11 -68.23 0.21 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.96 -179.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.546 ' HB3' " H5'" ' A' ' 9' ' ' ' DT' . 0.2 OUTLIER -177.74 145.48 0.4 Allowed 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 122.088 -0.382 . . . . 15.0 111.481 179.722 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 4' ' ' LYS . . . . . 0.815 ' HD3' ' C ' ' P' ' 4' ' ' LYS . 0.0 OUTLIER -178.54 -65.69 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 119.894 -0.722 . . . . 15.0 111.952 177.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.605 ' HG2' ' HD2' ' P' ' 4' ' ' LYS . 12.2 ptm180 -168.7 162.19 11.61 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.658 -0.417 . . . . 15.0 111.681 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 21.5 ptt-85 136.21 -28.77 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.559 -1.2 . . . . 15.0 108.375 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -56.6 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.525 -1.216 . . . . 15.0 111.986 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' P' ' 48' ' ' TRP . 0.4 OUTLIER -69.75 107.68 3.59 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.867 0.365 . . . . 15.0 111.982 -178.509 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -71.12 -178.73 2.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.025 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -59.5 -16.01 21.61 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.363 0.505 . . . . 15.0 112.363 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . 0.568 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.5 tp-100 -78.56 -47.7 16.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.263 0.554 . . . . 15.0 110.403 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 12' ' ' ALA . . . . . 0.622 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.9 -39.7 93.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.676 -0.693 . . . . 15.0 111.73 -179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 13' ' ' THR . . . . . 0.486 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -59.11 -54.39 47.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.11 -0.495 . . . . 15.0 111.67 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 14' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.2 pt-20 -54.7 -37.63 66.05 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.25 0.547 . . . . 15.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 15' ' ' ILE . . . . . . . . . . . . . 68.2 mt -72.92 -55.46 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.948 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . 0.51 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 71.5 mt -61.63 -43.08 99.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.849 0.685 . . . . 15.0 112.849 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 17' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.2 p30 -60.83 -52.25 65.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.259 -0.577 . . . . 15.0 111.029 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.501 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 51.6 mt-10 -47.11 -36.29 8.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.508 -0.315 . . . . 15.0 111.413 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 19' ' ' TYR . . . . . 0.446 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.7 t80 -80.75 -44.53 18.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 15.0 110.796 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . 0.586 ' C ' ' H ' ' P' ' 22' ' ' SER . 3.4 t80 -49.41 -45.67 46.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.238 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . 0.521 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.4 m-85 -59.67 12.32 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.534 0.568 . . . . 15.0 112.534 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 22' ' ' SER . . . . . 0.586 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.1 m -116.74 -21.05 9.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.34 . . . . 15.0 110.552 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 23' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' P' ' 24' ' ' PRO . 52.8 m170 -122.88 34.39 5.15 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.168 -0.469 . . . . 15.0 110.703 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 23' A LEU . . . . . 0.546 ' CD2' ' CE1' ' P' ' 20' ' ' PHE . 2.1 mt -45.19 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.883 0.697 . . . . 15.0 112.883 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.5 t -74.69 14.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.525 0.565 . . . . 15.0 112.525 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 23' C ASN . . . . . 0.605 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 20.1 p30 -173.5 56.07 0.19 Allowed Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 24' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' P' ' 23' C ASN . 7.0 Cg_exo -74.74 100.37 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.871 2.38 . . . . 15.0 115.094 -177.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.6 OUTLIER -154.75 98.89 2.43 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.761 -1.109 . . . . 15.0 109.509 176.131 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . 0.803 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 78.2 Cg_endo -65.88 105.08 0.76 Allowed 'Trans proline' 0 CA--C 1.514 -0.512 0 C-N-CA 123.109 2.54 . . . . 15.0 112.135 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 27' ' ' SER . . . . . 0.469 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 56.1 m -42.17 162.51 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.548 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 28' ' ' GLU . . . . . 0.655 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -43.36 -44.42 5.61 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.114 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.99 -32.27 69.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.927 0.394 . . . . 15.0 110.344 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' P' ' 33' ' ' GLU . . . -62.51 -57.14 12.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.99 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 31' ' ' LYS . . . . . 0.803 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -58.36 -23.13 55.93 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 120.52 -0.472 . . . . 15.0 110.313 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . 0.528 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 44.4 mt-10 -75.56 -59.18 2.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.242 -0.651 . . . . 15.0 109.242 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . 0.474 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.5 pt-20 -58.48 -50.2 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.933 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.529 HD13 HG13 ' P' ' 45' ' ' VAL . 96.5 mt -53.31 -62.17 1.83 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.98 0.419 . . . . 15.0 110.284 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.66 -31.78 38.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 15.0 112.029 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 36' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -76.01 -43.89 42.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.946 0.879 . . . . 15.0 109.408 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -68.41 -48.38 64.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.039 -1.437 . . . . 15.0 111.619 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.622 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.1 m -73.59 -52.17 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.44 -0.8 . . . . 15.0 112.148 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.19 23.37 4.89 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.134 -0.786 . . . . 15.0 111.134 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 40' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' P' ' 35' ' ' ALA . 17.2 pt -109.26 -162.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.508 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -120.47 142.01 49.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.326 -0.99 . . . . 15.0 108.326 177.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 42' ' ' VAL . . . . . 0.549 ' CG1' ' HG3' ' P' ' 31' ' ' LYS . 7.2 t -25.49 -75.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.842 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -42.43 -31.26 0.4 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.372 0.879 . . . . 15.0 113.372 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 2.8 mm100 -66.51 -36.18 82.08 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.457 -0.497 . . . . 15.0 110.288 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . 0.529 HG13 HD13 ' P' ' 34' ' ' LEU . 59.7 t -60.77 -57.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.574 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -54.7 -28.87 50.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.297 0.57 . . . . 15.0 110.277 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.66 -51.74 15.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.11 178.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 57.4 t90 -56.99 -58.8 6.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.956 -1.02 . . . . 15.0 110.603 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . 0.484 ' CE1' HD12 ' P' ' 34' ' ' LEU . 6.7 m-85 -48.4 -54.96 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.588 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 50' ' ' GLY . . . . . 0.455 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -33.41 -62.43 0.39 Allowed Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.976 -0.557 . . . . 15.0 113.952 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' P' ' 48' ' ' TRP . 9.3 p-10 -67.73 -17.17 64.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.83 0.678 . . . . 15.0 112.83 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 52' ' ' LYS . . . . . 0.503 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.6 mmmt -60.16 -51.23 70.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.217 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.719 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.5 ptt-85 -65.74 -41.87 91.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 54' ' ' ILE . . . . . 0.504 ' O ' ' CD ' ' P' ' 58' ' ' LYS . 27.1 mm -54.62 -55.86 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.205 -0.665 . . . . 15.0 109.205 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.49 ' NH2' ' N7 ' ' A' ' 7' ' ' ' DG' . 14.0 mmt85 -55.63 -33.15 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.682 0.277 . . . . 15.0 110.963 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 56' ' ' TYR . . . . . 0.719 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 5.2 t80 -49.69 -57.78 6.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.322 0.582 . . . . 15.0 110.149 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 34.2 mttt -52.67 -21.58 4.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' P' ' 54' ' ' ILE . 2.2 mptp? -72.31 -39.82 67.94 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.384 -0.599 . . . . 15.0 109.384 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.6 m-20 -136.43 43.6 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.481 -0.781 . . . . 15.0 113.063 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 60' ' ' ILE . . . . . 0.57 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 35.3 mm -13.51 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 115.093 1.516 . . . . 15.0 115.093 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.88 -24.47 54.03 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-N 115.867 -0.606 . . . . 15.0 114.465 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 62' ' ' LYS . . . . . 0.438 ' HD3' ' O ' ' P' ' 62' ' ' LYS . 7.5 tmtm? -65.72 -40.38 92.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.151 0.501 . . . . 15.0 109.91 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 63' ' ' PHE . . . . . 0.7 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 31.0 m-85 -79.94 -24.42 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.798 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -55.07 -65.19 0.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.442 ' O ' HG13 ' P' ' 69' ' ' ILE . 41.6 tp10 -52.25 -45.77 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.627 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.7 -53.81 52.01 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 67' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' P' ' 71' ' ' ALA . . . -43.89 -43.57 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.704 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.96 -33.79 66.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.028 0.442 . . . . 15.0 110.422 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 69' ' ' ILE . . . . . 0.442 HG13 ' O ' ' P' ' 65' ' ' GLU . 96.9 mt -64.95 -62.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.923 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 70' ' ' TYR . . . . . 0.521 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 65.4 m-85 -66.4 -26.64 67.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.419 -0.81 . . . . 15.0 111.514 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 71' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' P' ' 67' ' ' ALA . . . -56.92 -56.87 16.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 15.0 111.195 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.1 -48.54 67.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 15.0 112.117 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 73' ' ' LYS . . . . . 0.484 ' O ' ' OG1' ' P' ' 74' ' ' THR . 0.1 OUTLIER -68.91 -101.87 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.712 0.264 . . . . 15.0 111.712 -179.444 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 74' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' P' ' 73' ' ' LYS . 71.9 p 59.45 151.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.94 0.4 . . . . 15.0 110.937 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 69.51 11.05 7.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 15.0 111.533 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 76' ' ' VAL . . . . . 0.414 HG21 ' N ' ' P' ' 77' ' ' THR . 11.1 p -86.13 140.22 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.859 0.361 . . . . 15.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 77' ' ' THR . . . . . 0.414 ' N ' HG21 ' P' ' 76' ' ' VAL . 88.3 m -93.47 -38.57 11.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.773 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.199 -0.905 . . . . 15.0 111.126 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 113.802 1.038 . . . . 15.0 113.802 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -55.27 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.908 0.336 . . . . 15.0 111.908 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.93 ' CD1' HG21 ' P' ' 40' ' ' ILE . 30.0 m-85 -57.0 100.49 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 118.55 0.614 . . . . 15.0 111.699 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -68.35 176.41 2.82 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.765 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' P' ' 10' ' ' LYS . 1.0 OUTLIER -55.72 -20.13 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.957 0.355 . . . . 15.0 111.957 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 32.4 tp60 -75.29 -47.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 15.0 110.806 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.612 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.82 -41.71 97.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.886 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -56.24 -55.04 38.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 15.0 111.49 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 23.1 pt-20 -54.99 -40.55 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 15.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.449 HG13 ' HG3' ' P' ' 14' ' ' GLU . 46.7 mt -72.72 -55.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.307 0.854 . . . . 15.0 113.307 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.67 HD22 ' HE1' ' P' ' 49' ' ' PHE . 67.3 mt -59.32 -42.98 92.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 7.0 p30 -60.6 -53.36 58.36 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.504 -0.479 . . . . 15.0 111.162 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 49.7 mt-10 -46.45 -43.65 16.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.467 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.469 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 15.7 t80 -76.89 -38.29 53.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 15.0 110.203 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' P' ' 23' A LEU . 0.5 OUTLIER -52.19 -48.57 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.009 178.783 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.455 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 64.5 m-85 -63.66 11.02 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.459 ' H ' ' C ' ' P' ' 20' ' ' PHE . 60.0 p -114.17 -23.22 9.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.752 0.31 . . . . 15.0 110.325 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -121.85 34.68 5.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.115 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' A LEU . . . . . 0.83 HD21 ' CE1' ' P' ' 20' ' ' PHE . 6.5 mt -46.42 -56.79 5.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.81 0.338 . . . . 15.0 110.555 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 53.9 m -58.21 -7.54 0.86 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.347 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' C ASN . . . . . . . . . . . . . 74.7 m-80 -142.53 75.13 19.26 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 108.611 -0.885 . . . . 15.0 108.611 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.516 ' HD3' ' O ' ' P' ' 23' A LEU . 33.3 Cg_endo -63.88 48.93 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.604 2.869 . . . . 15.0 114.253 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.2 p90 -154.8 122.53 2.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.658 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.652 ' HG3' HG12 ' P' ' 45' ' ' VAL . 11.8 Cg_endo -51.45 -150.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.212 2.608 . . . . 15.0 112.105 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.993 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 51.5 m -145.82 168.82 19.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.361 -1.718 . . . . 15.0 106.361 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 24.3 pt-20 -50.26 -52.45 36.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 118.906 0.776 . . . . 15.0 110.968 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 29' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 12.5 pt-20 -70.78 -29.78 66.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.978 -0.289 . . . . 15.0 110.598 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.993 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -65.51 -55.62 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.608 -0.269 . . . . 15.0 110.662 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.732 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.18 -23.4 62.2 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.186 -0.606 . . . . 15.0 110.202 178.624 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.511 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 94.2 mt-10 -75.75 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.87 -0.605 . . . . 15.0 109.823 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.58 -48.77 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.127 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.604 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -54.71 -61.36 2.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.106 0.479 . . . . 15.0 110.598 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.424 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.02 -30.34 59.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 15.0 112.139 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.4 OUTLIER -76.37 -46.32 27.94 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 122.123 0.963 . . . . 15.0 109.362 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.95 -46.69 73.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 113.715 -1.584 . . . . 15.0 111.712 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.612 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.5 m -73.94 -52.35 13.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.55 -0.75 . . . . 15.0 112.154 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.85 19.33 5.68 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.15 -0.78 . . . . 15.0 111.15 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.93 HG21 ' CD1' ' P' ' 8' ' ' PHE . 17.8 pt -107.59 -163.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.628 -0.508 . . . . 15.0 109.628 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.497 HG22 ' CD ' ' P' ' 44' ' ' GLN . 10.4 t -121.15 143.34 49.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.569 -0.9 . . . . 15.0 108.569 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.732 HG13 ' HG3' ' P' ' 31' ' ' LYS . 16.5 t -26.38 -74.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 123.475 0.485 . . . . 15.0 112.039 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.469 ' N ' HG12 ' P' ' 42' ' ' VAL . 54.5 m -44.02 -31.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.526 ' HB3' ' CE1' ' P' ' 8' ' ' PHE . 82.3 mt-30 -67.44 -37.73 83.44 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.242 -0.583 . . . . 15.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.832 HG22 HD11 ' P' ' 40' ' ' ILE . 67.2 t -56.3 -54.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.56 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.97 -27.52 53.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.238 0.542 . . . . 15.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 47' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.4 t-20 -73.51 -51.95 15.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.275 -0.875 . . . . 15.0 109.293 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.602 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 66.4 t90 -57.26 -56.41 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.224 -0.898 . . . . 15.0 111.224 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.67 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -48.0 -55.9 8.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.77 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.538 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -47.15 -38.7 11.81 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.814 -0.708 . . . . 15.0 113.221 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -71.98 -32.14 66.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.957 0.354 . . . . 15.0 111.957 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.602 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 13.4 mmmm -59.75 -45.68 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.769 0.285 . . . . 15.0 111.769 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.671 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 2.1 ptm85 -60.63 -44.93 95.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.252 0.549 . . . . 15.0 109.723 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.906 HG22 ' HE3' ' P' ' 58' ' ' LYS . 12.1 mm -55.68 -62.0 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.373 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 44.5 ttp180 -49.72 -31.97 12.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.795 0.331 . . . . 15.0 110.544 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.744 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -57.11 -60.09 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.15 0.5 . . . . 15.0 110.46 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.652 ' HA ' ' HE2' ' P' ' 57' ' ' LYS . 10.8 mmpt? -46.27 -17.41 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.426 0.899 . . . . 15.0 113.426 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.906 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -81.09 -38.59 27.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.645 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' P' ' 62' ' ' LYS . 65.7 m-20 -135.53 41.62 2.74 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.795 0.665 . . . . 15.0 112.795 -178.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.503 HD11 ' HA ' ' P' ' 57' ' ' LYS . 40.7 mm -13.86 -72.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 114.905 1.446 . . . . 15.0 114.905 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.58 -23.19 13.19 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-N 116.069 -0.514 . . . . 15.0 114.1 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.3 tttm -74.21 -38.79 63.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.261 0.553 . . . . 15.0 109.988 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.744 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.5 m-85 -80.23 -29.09 38.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.401 -0.818 . . . . 15.0 111.581 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 64' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 84.3 mt-30 -56.97 -65.83 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.425 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -51.57 -42.56 61.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.756 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.0 mt-10 -59.31 -51.23 70.82 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.044 -0.724 . . . . 15.0 109.044 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.72 -41.39 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.878 -1.055 . . . . 15.0 110.399 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.996 0.427 . . . . 15.0 110.336 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.425 HG13 ' O ' ' P' ' 65' ' ' GLU . 91.1 mt -62.27 -60.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.624 . . . . 15.0 110.828 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 70' ' ' TYR . . . . . 0.455 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 56.3 m-85 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.451 -0.795 . . . . 15.0 111.59 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--O 1.232 0.177 0 N-CA-C 108.898 -0.779 . . . . 15.0 108.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.484 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 8.2 t30 -67.61 -83.62 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.953 -1.021 . . . . 15.0 111.957 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.794 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.2 OUTLIER -69.26 114.41 7.49 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 122.084 -0.385 . . . . 15.0 110.422 -179.4 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -73.11 176.9 5.41 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -54.96 -20.98 10.27 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.695 0.258 . . . . 15.0 111.695 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 34.9 tp60 -78.28 -48.31 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 15.0 110.59 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.596 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.07 -42.37 99.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.289 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 81.5 p -56.53 -55.29 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.865 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.6 pt-20 -56.47 -43.13 79.28 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.356 0.598 . . . . 15.0 110.644 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.406 HG23 ' HE3' ' P' ' 37' ' ' LYS . 53.5 mt -60.95 -59.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 15.0 111.808 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 57.7 mt -58.66 -46.76 86.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.358 -0.383 . . . . 15.0 110.592 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.54 ' HB3' ' HE2' ' P' ' 21' ' ' TYR . 50.9 m-20 -50.62 -63.24 1.19 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.668 0.27 . . . . 15.0 111.569 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -41.1 -50.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.18 -0.463 . . . . 15.0 111.498 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.661 ' CD2' HD11 ' P' ' 34' ' ' LEU . 2.0 t80 -65.19 -43.44 91.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 15.0 111.037 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.824 ' CE1' HD21 ' P' ' 23' A LEU . 0.7 OUTLIER -53.5 -52.72 58.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 15.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.54 ' HE2' ' HB3' ' P' ' 17' ' ' ASN . 59.2 m-85 -59.35 6.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.618 0.599 . . . . 15.0 112.618 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.512 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.9 m -109.22 -22.56 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 15.0 110.513 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.497 ' O ' ' C ' ' P' ' 23' C ASN . 2.8 m-70 -124.63 35.65 4.76 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.68 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 23' A LEU . . . . . 0.824 HD21 ' CE1' ' P' ' 20' ' ' PHE . 8.7 mt -45.81 -55.78 6.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.807 0.337 . . . . 15.0 111.121 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -56.64 -15.52 4.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 120.888 -0.325 . . . . 15.0 111.121 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 23' C ASN . . . . . 0.685 ' HB2' ' CE1' ' P' ' 25' ' ' TYR . 15.8 p30 -156.04 70.2 5.11 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 108.388 -0.968 . . . . 15.0 108.388 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' P' ' 23' A LEU . 9.7 Cg_exo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.868 3.045 . . . . 15.0 115.509 -176.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.685 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.0 OUTLIER -126.66 119.66 22.9 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 109.787 -0.449 . . . . 15.0 109.787 177.147 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.756 ' HG3' HG12 ' P' ' 45' ' ' VAL . 7.6 Cg_endo -48.8 -154.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.286 2.657 . . . . 15.0 113.169 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.974 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 47.1 t -155.32 172.2 18.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.448 -1.686 . . . . 15.0 106.448 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -49.09 -53.46 20.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 118.483 0.583 . . . . 15.0 110.959 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.8 -33.64 74.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.75 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.974 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.6 -55.81 20.82 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.691 -0.232 . . . . 15.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.626 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.73 -24.67 64.2 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 119.998 -0.681 . . . . 15.0 110.257 178.794 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.7 mt-10 -75.76 -60.74 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.99 178.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -58.87 -48.54 81.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 15.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.661 HD11 ' CD2' ' P' ' 19' ' ' TYR . 95.9 mt -56.15 -59.82 4.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.966 0.412 . . . . 15.0 110.693 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.421 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.61 -30.08 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.913 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.2 OUTLIER -76.32 -46.73 26.35 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.962 0.887 . . . . 15.0 109.628 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' P' ' 15' ' ' ILE . 23.7 mtpp -67.71 -45.4 75.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.918 -1.492 . . . . 15.0 111.881 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.596 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 58.1 m -74.15 -50.2 20.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.812 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.42 17.46 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.226 -0.749 . . . . 15.0 111.226 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.794 HG21 ' CD2' ' P' ' 8' ' ' PHE . 12.9 pt -107.28 -163.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.174 -0.513 . . . . 15.0 109.637 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.506 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.7 t -121.43 145.3 48.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.469 -0.937 . . . . 15.0 108.469 177.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.626 HG13 ' HG3' ' P' ' 31' ' ' LYS . 6.9 t -27.08 -75.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 123.295 0.372 . . . . 15.0 111.518 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.538 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.0 m -42.31 -31.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.398 0.888 . . . . 15.0 113.398 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.506 ' OE1' HG22 ' P' ' 41' ' ' THR . 85.5 mt-30 -66.71 -33.61 76.02 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.482 -0.487 . . . . 15.0 110.47 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.756 HG12 ' HG3' ' P' ' 26' ' ' PRO . 57.8 t -63.89 -59.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.238 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 55.2 m -51.88 -29.44 19.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.406 0.622 . . . . 15.0 109.816 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -73.73 -51.64 15.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.025 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.624 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 74.6 t90 -57.71 -59.97 4.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.81 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.609 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 7.6 m-85 -47.91 -57.12 6.11 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.491 ' HA2' ' NH1' ' P' ' 53' ' ' ARG . . . -33.04 -67.99 0.18 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 116.01 -0.541 . . . . 15.0 113.992 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -59.22 -40.14 84.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.434 0.531 . . . . 15.0 112.434 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.624 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 4.7 mmmp? -44.95 -55.07 5.82 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.442 0.534 . . . . 15.0 112.442 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.724 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 19.0 ptt-85 -58.08 -45.54 86.99 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.983 HG22 ' HE3' ' P' ' 58' ' ' LYS . 14.3 mm -54.77 -51.24 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.461 -0.94 . . . . 15.0 108.461 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 2.5 tpm_? -51.03 -39.91 56.99 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.418 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.724 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 3.7 t80 -50.78 -59.61 3.92 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.863 -0.608 . . . . 15.0 111.098 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 53.5 mttt -50.77 -19.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.987 1.106 . . . . 15.0 113.987 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.983 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -71.92 -38.03 69.95 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.421 -0.585 . . . . 15.0 109.421 179.734 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' P' ' 58' ' ' LYS . 2.7 m120 -139.94 45.05 1.9 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.877 0.695 . . . . 15.0 112.877 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 51.0 mm -13.88 -69.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 115.129 1.529 . . . . 15.0 115.129 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.8 -25.43 56.01 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 116.118 -0.492 . . . . 15.0 114.252 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' P' ' 59' ' ' ASN . 87.2 tttt -66.01 -41.3 91.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.096 0.474 . . . . 15.0 110.226 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.696 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 27.7 m-85 -79.02 -27.62 43.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 15.0 111.887 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -52.25 -62.14 1.82 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.495 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.0 tt0 -53.25 -47.62 68.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.546 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' P' ' 69' ' ' ILE . 52.0 mm-40 -54.4 -54.86 34.95 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.047 -0.979 . . . . 15.0 110.517 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -74.43 -34.63 63.27 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.402 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.495 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.8 mt -64.82 -52.43 54.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.781 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 C--N 1.332 -0.179 0 CA-C-O 121.071 0.462 . . . . 15.0 110.624 179.677 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.455 ' OD1' ' CE1' ' P' ' 8' ' ' PHE . 3.9 t-20 -55.78 -101.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.818 -1.083 . . . . 15.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.742 ' CD2' HG21 ' P' ' 40' ' ' ILE . 28.9 m-85 -65.86 110.81 3.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.027 0.831 . . . . 15.0 109.993 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -67.82 172.6 5.19 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.77 -0.455 . . . . 15.0 109.77 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' P' ' 11' ' ' GLN . 0.1 OUTLIER -58.1 -15.15 8.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 111.79 0.293 . . . . 15.0 111.79 -179.357 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -79.39 -46.66 17.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.238 0.542 . . . . 15.0 109.883 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.6 -42.35 98.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.675 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.9 p -56.53 -55.13 37.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 15.0 111.581 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.5 pt-20 -55.97 -41.26 74.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.256 0.55 . . . . 15.0 110.717 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' P' ' 38' ' ' SER . 59.4 mt -64.77 -58.31 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.053 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.64 HD22 ' HE1' ' P' ' 49' ' ' PHE . 58.5 mt -60.68 -45.81 92.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.115 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' P' ' 13' ' ' THR . 72.5 m-20 -51.33 -59.92 3.7 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 15.0 110.855 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' P' ' 14' ' ' GLU . 96.9 mt-10 -44.53 -45.5 9.36 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.555 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.56 ' HD2' HD11 ' P' ' 34' ' ' LEU . 10.0 t80 -75.91 -36.22 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.742 0.306 . . . . 15.0 110.611 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.603 ' CZ ' ' CD2' ' P' ' 23' A LEU . 22.5 t80 -53.3 -50.49 64.79 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.912 0.386 . . . . 15.0 110.768 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.5 m-85 -59.9 11.39 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.604 0.594 . . . . 15.0 112.604 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.553 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.4 t -116.28 -19.32 10.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 15.0 110.282 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.444 ' HB3' ' OD1' ' P' ' 23' C ASN . 2.7 m-70 -125.94 33.18 5.11 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.18 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 23' A LEU . . . . . 0.642 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.0 mt -43.75 -64.79 0.59 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 53.3 m -58.22 -3.1 0.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.398 0.518 . . . . 15.0 112.398 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 23' C ASN . . . . . 0.65 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 6.1 p30 -153.97 72.42 6.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.654 ' HG3' ' HD2' ' P' ' 53' ' ' ARG . 58.9 Cg_endo -69.47 70.52 1.42 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.847 2.365 . . . . 15.0 113.541 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.65 ' CZ ' ' HB2' ' P' ' 23' C ASN . 11.0 p90 -153.56 120.44 2.93 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.761 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.611 ' HG3' HG12 ' P' ' 45' ' ' VAL . 17.8 Cg_endo -54.81 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 123.213 2.609 . . . . 15.0 112.291 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 27' ' ' SER . . . . . 1.042 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 46.1 t -149.15 169.23 21.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 105.596 -2.002 . . . . 15.0 105.596 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 95.1 mt-10 -49.31 -53.89 19.76 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.238 0.926 . . . . 15.0 110.561 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.44 -34.58 76.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.504 -0.316 . . . . 15.0 110.519 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 1.042 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -62.24 -57.07 12.81 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 121.237 -0.185 . . . . 15.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.689 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.34 -24.38 59.61 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 120.215 -0.594 . . . . 15.0 110.361 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 49.3 mt-10 -75.94 -60.04 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 15.0 109.952 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.472 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.72 -50.19 74.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.506 -0.315 . . . . 15.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.565 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -53.75 -62.49 1.62 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.978 0.418 . . . . 15.0 110.687 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.442 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.16 -29.83 33.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.554 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.513 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.12 -43.15 44.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.992 0.901 . . . . 15.0 109.083 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.99 -48.53 62.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.76 -1.564 . . . . 15.0 111.723 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.574 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 2.0 p -74.33 -51.14 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.683 -0.69 . . . . 15.0 112.498 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.48 19.3 6.24 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.233 -0.747 . . . . 15.0 111.233 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.742 HG21 ' CD2' ' P' ' 8' ' ' PHE . 7.7 pt -104.08 -166.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.177 0.591 . . . . 15.0 109.417 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.507 ' O ' ' C ' ' P' ' 42' ' ' VAL . 8.7 t -117.34 137.87 52.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.689 HG13 ' HG3' ' P' ' 31' ' ' LYS . 3.9 t -25.16 -76.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.983 0.421 . . . . 15.0 111.48 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.585 ' N ' HG12 ' P' ' 42' ' ' VAL . 53.5 m -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.953 0.723 . . . . 15.0 112.953 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.616 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 25.2 tp60 -65.94 -38.3 88.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.734 HG22 HD11 ' P' ' 40' ' ' ILE . 62.9 t -59.24 -58.52 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 46' ' ' SER . . . . . 0.429 ' HA ' ' HD2' ' P' ' 26' ' ' PRO . 47.5 t -51.1 -28.98 11.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.378 0.609 . . . . 15.0 110.306 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 47' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.3 t-20 -74.04 -49.45 24.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.114 -0.948 . . . . 15.0 108.638 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.657 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 52.8 t90 -58.1 -59.68 4.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.869 -1.059 . . . . 15.0 111.71 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.64 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.3 m-85 -47.92 -59.13 3.57 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.343 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.8 -48.22 24.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.24 -0.981 . . . . 15.0 111.961 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 51' ' ' ASN . . . . . 0.543 ' HA ' HG12 ' P' ' 54' ' ' ILE . 25.8 t-20 -66.19 -30.04 70.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 15.0 110.654 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 50.7 tptt -60.53 -35.6 76.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.654 ' HD2' ' HG3' ' P' ' 24' ' ' PRO . 9.8 ptm180 -72.86 -34.57 66.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.93 HG22 ' HE3' ' P' ' 58' ' ' LYS . 9.6 mm -55.25 -55.56 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.828 -1.175 . . . . 15.0 107.828 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.429 ' O ' ' CZ ' ' P' ' 63' ' ' PHE . 37.7 ttm180 -49.35 -43.62 43.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.272 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.633 ' HA ' ' CD1' ' P' ' 63' ' ' PHE . 1.7 t80 -54.89 -59.78 4.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.588 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' P' ' 53' ' ' ARG . 0.0 OUTLIER -44.96 -17.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.014 1.116 . . . . 15.0 114.014 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.93 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -79.76 -36.3 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.624 0.249 . . . . 15.0 111.616 -178.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' P' ' 60' ' ' ILE . 50.9 m-20 -143.15 45.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 15.0 113.548 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.563 HD12 ' CZ ' ' P' ' 56' ' ' TYR . 35.9 mm -13.9 -71.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.966 1.469 . . . . 15.0 114.966 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.43 -22.83 16.98 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.149 -0.478 . . . . 15.0 114.138 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' P' ' 66' ' ' GLU . 61.5 tttm -75.77 -37.34 59.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.305 0.574 . . . . 15.0 109.845 179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.633 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 84.4 m-85 -80.41 -28.61 37.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.352 -0.84 . . . . 15.0 111.497 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 64' ' ' GLN . . . . . 0.481 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 84.4 mt-30 -57.08 -63.66 1.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.48 -0.563 . . . . 15.0 109.48 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.4 ' O ' HG13 ' P' ' 69' ' ' ILE . 89.1 tt0 -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.569 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 50.1 mt-10 -60.5 -49.87 75.82 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.73 -40.98 4.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.85 -1.068 . . . . 15.0 110.554 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.39 -36.91 63.54 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.059 0.457 . . . . 15.0 110.368 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.4 HG13 ' O ' ' P' ' 65' ' ' GLU . 85.3 mt -61.76 -62.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.168 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 70' ' ' TYR . . . . . 0.486 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.2 m-85 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.483 -0.78 . . . . 15.0 111.809 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 109.022 -0.733 . . . . 15.0 109.022 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.478 ' OD1' ' CE1' ' P' ' 8' ' ' PHE . 4.3 t-20 -59.11 -97.03 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.805 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.856 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.3 m-85 -64.48 109.33 1.92 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.601 0.637 . . . . 15.0 111.008 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -69.02 174.56 4.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.703 -0.48 . . . . 15.0 109.703 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' P' ' 10' ' ' LYS . 8.1 mtpm? -55.7 -19.92 12.58 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.911 0.337 . . . . 15.0 111.911 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.643 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 12.3 tp-100 -76.34 -47.37 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 15.0 110.446 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.637 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.26 -45.09 93.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.563 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 69.1 p -56.79 -54.49 45.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.479 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.6 pt-20 -53.31 -38.9 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.285 0.564 . . . . 15.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' P' ' 38' ' ' SER . 58.9 mt -72.5 -54.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.226 -0.897 . . . . 15.0 112.954 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.638 HD22 ' HE1' ' P' ' 49' ' ' PHE . 81.4 mt -60.15 -44.95 94.56 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.68 0.622 . . . . 15.0 112.68 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.575 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 17.7 p30 -60.55 -50.99 71.33 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.285 -0.566 . . . . 15.0 110.671 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.575 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 62.8 mm-40 -43.7 -39.04 3.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.475 . . . . 15.0 110.864 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.715 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -83.22 -34.96 25.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.724 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.693 ' CZ ' ' CD2' ' P' ' 23' A LEU . 18.9 t80 -53.24 -53.49 49.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.98 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 63.7 m-85 -57.97 10.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.503 ' H ' ' C ' ' P' ' 20' ' ' PHE . 85.4 p -115.02 -18.38 11.24 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.22 -0.3 . . . . 15.0 110.779 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' P' ' 24' ' ' PRO . 3.8 m-70 -129.5 31.72 4.75 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.095 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 23' A LEU . . . . . 0.693 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 13.9 mt -40.7 -62.28 0.82 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.087 0.403 . . . . 15.0 112.087 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.6 t -58.72 -9.96 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.493 0.553 . . . . 15.0 112.493 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 23' C ASN . . . . . 0.442 ' HB2' ' CE2' ' P' ' 25' ' ' TYR . 15.9 p-10 -173.03 70.52 0.39 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.688 0.28 . . . . 15.0 110.58 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' P' ' 23' A LEU . 61.8 Cg_endo -72.32 90.53 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.67 2.246 . . . . 15.0 111.899 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' P' ' 23' C ASN . 4.4 m-30 -123.37 89.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.838 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 81.1 Cg_endo -66.31 91.11 0.27 Allowed 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.594 2.196 . . . . 15.0 111.172 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.48 ' O ' ' O ' ' P' ' 26' ' ' PRO . 47.0 t -37.73 167.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.907 0.754 . . . . 15.0 111.499 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -44.73 -46.26 10.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.542 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.63 -32.56 68.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.557 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.769 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -65.53 -56.95 9.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.487 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.993 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.98 -23.39 65.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.025 0.44 . . . . 15.0 110.065 178.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.521 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 83.9 mt-10 -75.7 -59.8 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.693 . . . . 15.0 109.139 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.8 pt-20 -58.66 -47.97 82.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.786 HD12 HG11 ' P' ' 45' ' ' VAL . 91.6 mt -53.46 -60.45 3.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.999 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.91 -30.78 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 15.0 112.207 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.76 -46.68 29.48 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.963 0.887 . . . . 15.0 109.266 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.442 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.6 mtpp -67.66 -46.07 73.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.452 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.637 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 64.4 m -73.92 -53.17 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.24 -0.891 . . . . 15.0 112.297 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.35 17.9 6.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.896 -0.669 . . . . 15.0 111.525 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.856 HG21 ' CD2' ' P' ' 8' ' ' PHE . 8.1 pt -104.88 -165.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.3 t -116.67 137.21 52.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.522 -0.918 . . . . 15.0 108.522 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.993 HG13 ' HG3' ' P' ' 31' ' ' LYS . 21.8 t -21.86 -78.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 120.968 0.413 . . . . 15.0 111.877 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.535 ' N ' HG12 ' P' ' 42' ' ' VAL . 41.8 m -42.74 -28.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.493 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' P' ' 41' ' ' THR . 53.9 tp60 -66.37 -38.22 87.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.171 0.51 . . . . 15.0 109.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.833 HG22 HD11 ' P' ' 40' ' ' ILE . 78.2 t -60.48 -57.02 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.634 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -53.71 -25.28 17.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.267 0.556 . . . . 15.0 110.341 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 47' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.6 t-20 -73.94 -50.2 21.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.249 -0.887 . . . . 15.0 108.977 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.519 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 51.0 t90 -57.87 -60.3 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 15.0 111.507 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.638 ' HE1' HD22 ' P' ' 16' ' ' LEU . 8.3 m-85 -48.18 -59.06 3.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.462 -0.79 . . . . 15.0 112.143 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.654 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.3 -48.34 6.81 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.714 -0.755 . . . . 15.0 112.682 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 51' ' ' ASN . . . . . 0.48 ' HA ' HG12 ' P' ' 54' ' ' ILE . 22.6 t-20 -75.47 -28.17 59.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.587 0.232 . . . . 15.0 111.53 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 21.2 tptm -60.24 -39.86 88.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.866 0.321 . . . . 15.0 111.866 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.9 ptm180 -71.17 -36.18 71.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.571 -0.9 . . . . 15.0 108.571 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.981 HG22 ' HE3' ' P' ' 58' ' ' LYS . 27.5 mm -53.89 -55.0 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.519 -0.764 . . . . 15.0 109.35 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 71.1 mtp180 -49.58 -42.06 43.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.708 0.289 . . . . 15.0 110.983 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.764 ' HA ' ' CD1' ' P' ' 63' ' ' PHE . 3.3 t80 -47.68 -59.97 2.9 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.165 0.507 . . . . 15.0 110.981 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.548 ' HA ' HD11 ' P' ' 60' ' ' ILE . 0.0 OUTLIER -46.29 -19.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.427 0.899 . . . . 15.0 113.427 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.981 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.6 OUTLIER -83.79 -39.09 20.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.537 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' P' ' 60' ' ' ILE . 60.0 m-20 -133.86 40.01 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.625 0.602 . . . . 15.0 112.625 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' P' ' 57' ' ' LYS . 36.7 mm -13.69 -71.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 114.547 1.314 . . . . 15.0 114.547 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.11 -25.82 40.36 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.025 -0.534 . . . . 15.0 114.138 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -70.46 -39.33 74.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.183 0.516 . . . . 15.0 110.106 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.764 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 96.1 m-85 -76.14 -30.81 58.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.762 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 64' ' ' GLN . . . . . 0.494 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 82.9 mt-30 -55.2 -62.09 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.874 -0.417 . . . . 15.0 109.874 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -51.24 -46.61 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.46 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' P' ' 69' ' ' ILE . 96.8 mt-10 -56.47 -51.76 67.24 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 108.796 -0.816 . . . . 15.0 108.796 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.81 -44.8 7.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.331 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -69.83 -34.51 73.76 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.168 -0.469 . . . . 15.0 109.977 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' P' ' 66' ' ' GLU . 78.6 mt -66.63 -54.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.877 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 70' ' ' TYR . . . . . 0.421 ' CD2' ' OD1' ' P' ' 17' ' ' ASN . 77.3 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.678 -0.692 . . . . 15.0 111.785 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 ptm85 . . . . . 0 CA--C 1.522 -0.13 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.447 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 6.3 t30 -60.1 -89.66 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.692 -1.14 . . . . 15.0 111.554 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.786 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.3 OUTLIER -61.2 102.67 0.23 Allowed 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.346 0.593 . . . . 15.0 111.053 -179.156 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -65.02 173.32 2.43 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.133 -0.939 . . . . 15.0 110.127 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -55.01 -16.98 3.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.647 0.26 . . . . 15.0 111.545 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 30.6 tp60 -79.21 -46.95 16.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.007 0.432 . . . . 15.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.582 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.09 -43.52 98.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.855 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 68.8 p -56.98 -56.1 26.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.074 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 14.2 pt-20 -52.7 -38.05 60.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.315 0.579 . . . . 15.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.516 HG23 ' HE2' ' P' ' 37' ' ' LYS . 65.0 mt -71.27 -56.06 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.271 -0.877 . . . . 15.0 113.239 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.624 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.3 mt -60.45 -43.75 96.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.158 0.799 . . . . 15.0 113.158 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.478 HD21 ' HA ' ' P' ' 14' ' ' GLU . 19.6 p30 -60.46 -52.83 63.52 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.265 -0.574 . . . . 15.0 111.028 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.476 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 50.1 mt-10 -45.97 -37.53 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 15.0 111.362 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.758 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.8 t80 -81.91 -40.37 22.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.929 0.395 . . . . 15.0 110.636 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.763 ' CE1' HD21 ' P' ' 23' A LEU . 0.3 OUTLIER -49.16 -48.23 45.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.504 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 68.5 m-85 -61.39 4.98 0.08 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.442 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.5 t -108.37 -25.97 10.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.556 0.217 . . . . 15.0 111.059 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 23' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -124.67 38.98 4.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.521 -0.309 . . . . 15.0 111.461 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 23' A LEU . . . . . 0.763 HD21 ' CE1' ' P' ' 20' ' ' PHE . 6.7 mt -46.45 -62.0 1.56 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.828 0.347 . . . . 15.0 111.121 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 80.3 p -59.91 -8.79 2.42 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.912 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 23' C ASN . . . . . 0.496 ' HB3' ' CE1' ' P' ' 25' ' ' TYR . 96.3 m-20 -141.41 69.06 26.58 Favored Pre-proline 0 N--CA 1.462 0.151 0 CA-C-O 121.026 0.441 . . . . 15.0 110.092 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' P' ' 23' A LEU . 48.8 Cg_endo -66.91 61.53 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.03 2.487 . . . . 15.0 113.222 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' P' ' 23' C ASN . 4.5 p90 -154.01 97.02 2.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 121.087 0.47 . . . . 15.0 110.197 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.755 ' HG3' HG12 ' P' ' 45' ' ' VAL . 87.7 Cg_endo -69.56 113.01 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.531 2.821 . . . . 15.0 112.934 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.408 ' O ' ' O ' ' P' ' 26' ' ' PRO . 51.1 m -36.19 159.75 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.258 -0.883 . . . . 15.0 111.256 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.468 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 94.6 mt-10 -46.26 -42.93 15.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.752 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.59 -24.07 56.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.849 0.357 . . . . 15.0 110.855 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.758 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -69.71 -54.28 14.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.982 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.981 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -62.3 -21.36 65.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.325 178.558 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 41.1 mt-10 -75.48 -59.78 2.6 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.56 -45.36 89.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.758 HD12 HG11 ' P' ' 45' ' ' VAL . 96.2 mt -56.64 -60.7 3.17 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.31 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.77 59.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.988 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.42 -46.77 30.74 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.991 0.901 . . . . 15.0 108.714 179.217 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.516 ' HE2' HG23 ' P' ' 15' ' ' ILE . 52.2 mtpt -65.63 -48.97 70.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.905 -1.498 . . . . 15.0 110.701 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.582 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 39.3 m -74.46 -52.04 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.975 -1.012 . . . . 15.0 111.66 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.6 23.89 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.866 -0.683 . . . . 15.0 111.872 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.875 HD11 HG22 ' P' ' 45' ' ' VAL . 3.8 pt -101.75 -168.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 122.293 0.237 . . . . 15.0 110.826 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.498 HG23 ' HB2' ' P' ' 44' ' ' GLN . 4.9 t -109.87 90.1 3.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.633 0.254 . . . . 15.0 110.634 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.981 HG13 ' HG3' ' P' ' 31' ' ' LYS . 14.4 t 17.43 -83.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 124.205 0.94 . . . . 15.0 112.142 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.646 ' N ' HG12 ' P' ' 42' ' ' VAL . 38.0 m -44.62 -24.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.524 ' HG3' ' CE2' ' P' ' 8' ' ' PHE . 8.4 tp-100 -67.01 -37.52 84.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.945 -0.761 . . . . 15.0 108.945 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.875 HG22 HD11 ' P' ' 40' ' ' ILE . 89.3 t -56.33 -54.72 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.18 -0.918 . . . . 15.0 109.699 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -56.04 -27.98 55.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.345 0.593 . . . . 15.0 110.27 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 47' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.8 t-20 -73.58 -52.04 14.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.167 -0.924 . . . . 15.0 109.616 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.554 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 82.0 t90 -56.89 -54.41 46.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.359 -0.837 . . . . 15.0 110.649 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.624 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -48.36 -54.19 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.393 -0.821 . . . . 15.0 110.87 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.649 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.56 -32.58 5.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.851 -0.69 . . . . 15.0 112.95 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 51' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' P' ' 54' ' ' ILE . 42.8 t30 -73.72 -54.18 8.67 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.771 0.32 . . . . 15.0 111.845 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.54 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 29.6 mmmt -38.81 -45.45 1.15 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.597 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.575 ' C ' ' H ' ' P' ' 55' ' ' ARG . 2.4 ptm85 -64.53 -47.36 79.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.649 HG12 ' O ' ' P' ' 50' ' ' GLY . 19.1 mm -60.42 6.03 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.128 0.49 . . . . 15.0 111.133 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.575 ' H ' ' C ' ' P' ' 53' ' ' ARG . 19.0 tpp180 -123.4 -24.61 4.58 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.766 -0.827 . . . . 15.0 108.766 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.66 ' CE2' HD12 ' P' ' 60' ' ' ILE . 47.8 t80 -61.53 -68.57 0.3 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.323 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.879 ' HA ' HD11 ' P' ' 60' ' ' ILE . 20.4 mtmt -49.36 -22.12 1.04 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.353 -0.84 . . . . 15.0 112.623 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.615 ' N ' ' HD2' ' P' ' 58' ' ' LYS . 0.7 OUTLIER -71.73 -37.67 70.55 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.449 -0.796 . . . . 15.0 108.912 178.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.2 m-20 -139.32 31.92 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.433 0.901 . . . . 15.0 113.433 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.879 HD11 ' HA ' ' P' ' 57' ' ' LYS . 42.2 mm -14.2 -67.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 114.842 1.423 . . . . 15.0 114.842 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.81 -28.62 31.72 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.355 -0.45 . . . . 15.0 113.399 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' P' ' 59' ' ' ASN . 2.6 tmmm? -67.8 -40.71 83.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.601 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 42.5 m-85 -77.49 -28.78 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.583 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -50.98 -65.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.406 ' O ' HG13 ' P' ' 69' ' ' ILE . 38.8 tt0 -52.64 -45.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.853 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' P' ' 69' ' ' ILE . 97.6 mt-10 -57.39 -52.43 65.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.345 0.593 . . . . 15.0 109.465 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.16 -39.41 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -72.89 -35.84 67.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.43 . . . . 15.0 110.27 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' P' ' 66' ' ' GLU . 69.3 mt -66.17 -54.3 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.165 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.836 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 N--CA 1.466 0.366 0 N-CA-C 109.055 -0.72 . . . . 15.0 109.055 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 26.8 t30 -56.99 -94.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.593 -1.185 . . . . 15.0 112.784 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.92 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.1 m-85 -66.21 116.3 7.13 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.359 0.527 . . . . 15.0 110.773 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -74.28 178.07 5.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.218 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.1 OUTLIER -55.56 -25.19 36.66 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.842 0.312 . . . . 15.0 111.842 -179.258 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.5 tt0 -74.91 -49.04 21.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.438 . . . . 15.0 110.576 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.591 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.79 -41.76 98.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 15.0 111.47 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 71.6 p -57.66 -54.92 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.964 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.2 pt-20 -56.5 -44.08 80.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.333 0.587 . . . . 15.0 110.545 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.447 HD13 ' C ' ' P' ' 37' ' ' LYS . 56.1 mt -59.18 -61.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.16 -0.927 . . . . 15.0 111.785 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.573 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 52.4 mt -57.41 -45.48 84.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 15.0 110.723 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' P' ' 21' ' ' TYR . 52.5 m-20 -53.51 -60.96 2.64 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.597 0.237 . . . . 15.0 111.561 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.432 ' HG2' ' HB3' ' P' ' 70' ' ' TYR . 55.3 mt-10 -43.41 -38.88 2.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.31 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.571 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.8 t80 -79.62 -39.03 32.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 15.0 110.41 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.55 ' CZ ' HD22 ' P' ' 23' A LEU . 28.4 t80 -53.29 -54.51 35.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.651 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.491 ' CE2' ' HB3' ' P' ' 17' ' ' ASN . 58.5 m-85 -56.84 6.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.81 0.671 . . . . 15.0 112.81 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.523 ' H ' ' C ' ' P' ' 20' ' ' PHE . 46.0 t -108.71 -20.79 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.385 -0.197 . . . . 15.0 110.89 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' P' ' 23' C ASN . 4.0 m-70 -129.9 35.75 4.12 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.623 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 23' A LEU . . . . . 0.597 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -43.65 -61.72 1.31 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 80.0 p -58.12 -8.44 1.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 23' C ASN . . . . . 0.59 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 13.9 p30 -159.6 66.88 2.87 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.668 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 5.7 Cg_exo -78.32 59.93 7.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.114 2.542 . . . . 15.0 114.225 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.636 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.4 p90 -125.46 108.01 26.66 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.73 ' HG3' HG12 ' P' ' 45' ' ' VAL . 1.3 Cg_endo -44.42 -151.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.337 2.692 . . . . 15.0 112.954 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.97 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 57.8 m -156.0 170.44 22.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.356 -1.72 . . . . 15.0 106.356 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -49.07 -52.5 25.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.463 0.574 . . . . 15.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -69.59 -33.99 73.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.797 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.97 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -62.52 -55.67 25.24 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.995 -0.282 . . . . 15.0 110.645 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.638 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.96 -23.95 62.09 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.274 178.854 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.505 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.6 mt-10 -75.72 -60.08 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.896 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' P' ' 34' ' ' LEU . 16.8 pt-20 -58.58 -48.96 79.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 15.0 110.221 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.724 HD12 HG11 ' P' ' 45' ' ' VAL . 97.5 mt -56.09 -59.75 4.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.91 0.386 . . . . 15.0 110.573 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.55 -30.08 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.405 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.26 -46.53 27.61 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 122.003 0.906 . . . . 15.0 109.374 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.447 ' C ' HD13 ' P' ' 15' ' ' ILE . 24.6 mtpp -66.87 -45.53 77.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.849 -1.523 . . . . 15.0 111.791 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.591 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 57.2 m -74.26 -49.48 23.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 15.0 112.046 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 17.7 8.32 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.893 -0.883 . . . . 15.0 110.893 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.92 HG21 ' CD2' ' P' ' 8' ' ' PHE . 19.8 pt -105.68 -163.82 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.537 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.8 t -121.17 144.23 48.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' P' ' 31' ' ' LYS . 10.6 t -26.0 -75.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 123.254 0.347 . . . . 15.0 111.554 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.516 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.7 m -42.33 -30.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.234 0.827 . . . . 15.0 113.234 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.537 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.3 mm100 -66.77 -33.79 76.41 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.09 0.471 . . . . 15.0 110.178 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.789 HG22 HD11 ' P' ' 40' ' ' ILE . 55.1 t -64.82 -60.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.614 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -51.93 -27.59 13.57 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.434 0.635 . . . . 15.0 109.932 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -73.94 -51.06 17.26 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.255 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.678 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 72.5 t90 -57.66 -60.62 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.564 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.531 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.0 m-85 -47.36 -56.02 7.7 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.769 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -36.04 -61.89 0.75 Allowed Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.14 -0.482 . . . . 15.0 113.89 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -64.89 -23.2 67.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.797 0.665 . . . . 15.0 112.797 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.616 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.7 mmmt -59.93 -49.37 77.94 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.028 0.381 . . . . 15.0 112.028 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.4 ptt-85 -65.02 -42.72 94.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.549 -0.537 . . . . 15.0 109.549 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.746 HG22 ' HE2' ' P' ' 58' ' ' LYS . 15.2 mm -55.4 -58.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.407 -0.961 . . . . 15.0 108.407 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.683 ' HG3' ' HZ ' ' P' ' 63' ' ' PHE . 10.7 tpt180 -53.18 -37.14 61.65 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.792 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.717 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.2 OUTLIER -49.17 -60.42 2.81 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.378 0.609 . . . . 15.0 110.657 178.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 74.3 mmtt -48.86 -20.37 0.49 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.141 -0.936 . . . . 15.0 113.477 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.746 ' HE2' HG22 ' P' ' 54' ' ' ILE . 2.6 mptp? -75.37 -39.13 59.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.241 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.7 m-20 -135.71 42.75 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.069 0.766 . . . . 15.0 113.069 -178.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.542 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 47.7 mm -14.21 -71.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 115.274 1.583 . . . . 15.0 115.274 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.38 -24.4 51.87 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 116.043 -0.526 . . . . 15.0 114.117 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' P' ' 59' ' ' ASN . 63.2 tttp -65.09 -42.07 94.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.01 0.433 . . . . 15.0 110.015 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.717 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 37.6 m-85 -77.27 -24.93 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.935 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 64' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 81.8 mt-30 -55.22 -63.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.99 -47.15 65.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.584 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.0 mt-10 -54.93 -53.7 52.24 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.003 -0.74 . . . . 15.0 109.003 178.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.57 -44.38 6.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.011 -0.995 . . . . 15.0 110.368 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.984 0.421 . . . . 15.0 110.517 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' P' ' 66' ' ' GLU . 72.6 mt -65.95 -57.65 9.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.433 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 70' ' ' TYR . . . . . 0.432 ' HB3' ' HG2' ' P' ' 18' ' ' GLU . 86.2 m-85 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.686 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 24.1 ptt85 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 107.575 -1.268 . . . . 15.0 107.575 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.688 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 31.9 t30 -61.28 -95.66 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 113.9 -1.5 . . . . 15.0 110.779 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.938 ' CD2' HG21 ' P' ' 40' ' ' ILE . 15.0 m-85 -64.81 110.62 2.47 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.743 0.702 . . . . 15.0 109.833 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -69.21 174.23 4.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.456 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -18.3 21.99 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.999 -0.281 . . . . 15.0 111.538 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -76.29 -47.48 23.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 15.0 109.815 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.601 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.45 -45.4 91.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.589 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.494 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.7 p -53.54 -57.45 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.966 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' P' ' 18' ' ' GLU . 13.3 pt-20 -54.05 -39.34 66.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.385 0.612 . . . . 15.0 110.753 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' P' ' 38' ' ' SER . 83.4 mt -66.59 -55.95 16.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.214 -0.903 . . . . 15.0 112.109 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.586 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.9 mt -62.3 -48.02 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.42 0.526 . . . . 15.0 112.42 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' P' ' 13' ' ' THR . 19.4 p30 -60.73 -52.13 66.4 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.398 -0.521 . . . . 15.0 110.741 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' P' ' 14' ' ' GLU . 43.6 mm-40 -45.32 -34.61 3.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.862 0.363 . . . . 15.0 110.857 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.575 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.8 t80 -82.94 -40.92 19.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.467 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.663 ' CZ ' HD22 ' P' ' 23' A LEU . 3.4 t80 -48.25 -52.22 22.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 15.0 110.482 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.3 m-85 -56.19 2.43 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.501 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.492 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.7 m -107.03 -23.0 12.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.646 0.26 . . . . 15.0 110.323 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -130.2 42.05 3.32 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.945 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 23' A LEU . . . . . 0.663 HD22 ' CZ ' ' P' ' 20' ' ' PHE . 2.7 mt -45.39 -61.17 1.78 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.56 0.219 . . . . 15.0 111.471 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 52.8 m -58.26 -4.09 0.33 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 23' C ASN . . . . . . . . . . . . . 96.0 m-20 -141.59 73.13 24.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' P' ' 23' A LEU . 47.0 Cg_endo -67.53 55.84 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.022 2.481 . . . . 15.0 113.25 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.47 124.35 3.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.118 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.665 ' HG3' HG12 ' P' ' 45' ' ' VAL . 36.3 Cg_endo -60.14 -151.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.756 2.304 . . . . 15.0 111.807 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.956 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 44.5 t -144.06 172.4 12.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.289 -1.745 . . . . 15.0 106.289 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.6 mt-10 -52.52 -54.93 26.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.993 0.815 . . . . 15.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -70.78 -23.84 62.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.956 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -72.55 -53.77 11.05 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.752 0.311 . . . . 15.0 110.467 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.794 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.8 OUTLIER -61.51 -21.98 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.569 -0.452 . . . . 15.0 110.4 179.066 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.518 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 48.5 mt-10 -75.87 -59.51 2.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.74 -47.93 82.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 15.0 109.824 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.783 HD12 HG11 ' P' ' 45' ' ' VAL . 93.4 mt -54.55 -59.02 5.26 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.84 -32.12 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 15.0 112.417 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.77 -46.78 28.92 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.919 0.866 . . . . 15.0 109.325 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.428 ' C ' HD13 ' P' ' 15' ' ' ILE . 24.2 mtpp -66.13 -45.52 80.75 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.864 -1.517 . . . . 15.0 111.519 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.601 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 37.9 m -74.18 -51.06 16.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.369 -0.832 . . . . 15.0 112.148 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.2 20.33 6.34 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.938 HG21 ' CD2' ' P' ' 8' ' ' PHE . 16.8 pt -108.71 -162.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 15.0 109.417 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.509 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.1 t -121.5 145.0 48.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.794 HG13 ' HG3' ' P' ' 31' ' ' LYS . 22.1 t -27.23 -74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.77 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.448 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.4 m -43.2 -31.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.498 0.925 . . . . 15.0 113.498 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.509 ' OE1' HG22 ' P' ' 41' ' ' THR . 86.6 mt-30 -66.68 -35.99 81.45 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.364 -0.535 . . . . 15.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.844 HG22 HD11 ' P' ' 40' ' ' ILE . 54.9 t -61.33 -57.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.98 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -51.82 -54.42 29.06 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.348 0.594 . . . . 15.0 109.518 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -50.81 -50.91 55.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.924 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.6 ' CH2' ' HG2' ' P' ' 52' ' ' LYS . 73.0 t90 -57.35 -55.67 31.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.092 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.729 ' HA ' ' HD2' ' P' ' 52' ' ' LYS . 6.0 m-85 -47.47 -52.38 17.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.655 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.498 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -58.0 -37.2 84.52 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.121 -1.038 . . . . 15.0 112.89 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 51' ' ' ASN . . . . . 0.475 ' O ' HG12 ' P' ' 54' ' ' ILE . 30.6 m120 -65.24 -77.96 0.06 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.116 0.784 . . . . 15.0 113.116 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.729 ' HD2' ' HA ' ' P' ' 49' ' ' PHE . 0.0 OUTLIER -41.14 -39.17 1.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.845 0.683 . . . . 15.0 112.845 -177.833 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.785 ' HD2' HD13 ' P' ' 54' ' ' ILE . 0.0 OUTLIER -53.37 -46.02 69.43 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 178.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 1.025 HG22 ' HE3' ' P' ' 58' ' ' LYS . 11.4 mm -53.19 -52.79 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.244 -0.434 . . . . 15.0 110.107 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' P' ' 52' ' ' LYS . 4.1 ptt-85 -53.81 -24.81 16.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.513 -0.475 . . . . 15.0 111.486 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.773 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -59.19 -60.01 4.54 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.745 ' HA ' HD11 ' P' ' 60' ' ' ILE . 74.5 mmtt -46.43 -15.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.372 0.878 . . . . 15.0 113.372 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 1.025 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.7 OUTLIER -81.63 -36.58 28.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.88 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' P' ' 62' ' ' LYS . 61.0 m-80 -136.5 37.89 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.666 0.617 . . . . 15.0 112.666 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' P' ' 57' ' ' LYS . 51.5 mm -13.71 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 115.046 1.498 . . . . 15.0 115.046 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.35 -25.85 27.84 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 116.188 -0.46 . . . . 15.0 113.623 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -68.03 -40.41 82.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.959 0.409 . . . . 15.0 110.389 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.773 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 39.3 m-85 -82.01 -23.49 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.948 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -56.72 -65.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.467 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.1 tt0 -53.07 -46.44 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.74 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.753 ' OE1' HD12 ' P' ' 69' ' ' ILE . 5.6 mm-40 -55.8 -53.66 54.03 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.25 -39.52 3.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.807 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -74.18 -33.69 63.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.015 0.436 . . . . 15.0 110.196 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.753 HD12 ' OE1' ' P' ' 66' ' ' GLU . 74.9 mt -68.85 -50.22 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.832 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 121.253 0.549 . . . . 15.0 110.648 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 ptt85 . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 112.33 0.493 . . . . 15.0 112.33 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.01 -90.05 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.68 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' P' ' 40' ' ' ILE . 2.6 m-30 -81.72 120.25 24.89 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.699 -0.482 . . . . 15.0 109.699 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 9' ' ' ASN . . . . . 0.635 ' O ' HG23 ' P' ' 13' ' ' THR . 41.0 t30 -72.95 173.34 9.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.167 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' P' ' 10' ' ' LYS . 12.9 mptt -55.73 -30.2 60.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.782 0.325 . . . . 15.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -65.77 -51.05 62.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.38 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.599 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.599 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.635 HG23 ' O ' ' P' ' 9' ' ' ASN . 44.5 p -57.09 -56.02 27.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.1 pt-20 -55.22 -42.92 73.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.467 0.651 . . . . 15.0 110.547 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.499 HG23 ' HE3' ' P' ' 37' ' ' LYS . 75.6 mt -64.09 -56.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.038 -0.983 . . . . 15.0 111.804 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.739 HD11 HD13 ' P' ' 40' ' ' ILE . 80.1 mt -63.19 -47.31 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 15.0 112.813 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -60.64 -52.93 63.06 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.056 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 45.9 mt-10 -44.01 -44.97 7.66 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.719 0.295 . . . . 15.0 111.308 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.482 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -71.57 -40.25 70.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 15.0 110.393 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.612 ' CE1' HD21 ' P' ' 23' A LEU . 1.3 t80 -51.71 -48.74 63.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.728 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -62.77 8.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.302 0.482 . . . . 15.0 112.302 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.485 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.7 t -105.83 -24.92 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 15.0 110.571 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' P' ' 23' C ASN . 3.7 m-70 -127.93 38.67 3.98 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.134 -0.485 . . . . 15.0 111.053 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 23' A LEU . . . . . 0.743 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -42.46 -62.09 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 46.6 t -58.73 -10.85 2.58 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.933 0.346 . . . . 15.0 111.933 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 23' C ASN . . . . . 0.55 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 75.2 m-80 -150.74 69.7 8.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.743 ' HD3' ' O ' ' P' ' 23' A LEU . 58.9 Cg_endo -81.16 54.1 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.876 2.384 . . . . 15.0 114.028 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.596 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.0 p90 -129.45 110.6 17.75 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 177.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.836 ' HG3' HG12 ' P' ' 45' ' ' VAL . 3.3 Cg_endo -46.36 -151.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.257 2.638 . . . . 15.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.912 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 53.5 m -154.73 176.93 11.83 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.138 -1.43 . . . . 15.0 107.138 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -53.13 -53.08 55.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.078 -0.649 . . . . 15.0 110.464 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 29' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 12.4 pt-20 -73.17 -26.03 61.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.815 0.302 . . . . 15.0 111.815 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.912 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -66.94 -52.07 47.47 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.86 ' CB ' HG13 ' P' ' 42' ' ' VAL . 12.2 mttt -55.17 -30.54 60.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.496 178.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' P' ' 36' ' ' LYS . 54.9 mt-10 -71.67 -59.49 2.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.747 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 23.9 pt-20 -57.73 -50.49 73.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.32 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.777 HD12 HG11 ' P' ' 45' ' ' VAL . 96.6 mt -58.29 -61.29 2.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 15.0 111.44 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' P' ' 40' ' ' ILE . . . -56.29 -30.52 62.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.834 0.679 . . . . 15.0 112.834 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.524 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.2 OUTLIER -75.95 -46.36 30.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.984 0.897 . . . . 15.0 109.307 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.499 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.4 mtpp -66.55 -48.14 70.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 113.804 -1.544 . . . . 15.0 111.328 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.599 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 50.3 m -75.5 -52.95 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.25 -0.887 . . . . 15.0 112.507 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.13 19.01 6.06 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.835 -0.697 . . . . 15.0 111.842 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.754 HD11 HG22 ' P' ' 45' ' ' VAL . 6.0 pt -103.15 -166.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.842 -0.429 . . . . 15.0 109.842 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.555 ' O ' ' N ' ' P' ' 44' ' ' GLN . 7.9 t -116.85 134.4 54.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.618 -0.882 . . . . 15.0 108.618 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.86 HG13 ' CB ' ' P' ' 31' ' ' LYS . 42.9 t -21.41 -77.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.105 0.409 . . . . 15.0 112.105 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 52.0 m -43.72 -28.33 0.4 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.835 0.68 . . . . 15.0 112.835 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' P' ' 41' ' ' THR . 3.4 tp60 -67.0 -37.43 84.18 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.294 0.569 . . . . 15.0 110.015 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.836 HG12 ' HG3' ' P' ' 26' ' ' PRO . 62.1 t -61.22 -57.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.394 -0.821 . . . . 15.0 111.029 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 46' ' ' SER . . . . . 0.406 ' HB3' ' HE2' ' P' ' 31' ' ' LYS . 77.5 p -54.52 -28.12 43.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.498 0.666 . . . . 15.0 109.901 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -73.5 -51.38 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.793 -1.094 . . . . 15.0 108.751 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 63.1 t90 -57.59 -59.16 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.805 -1.089 . . . . 15.0 111.258 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.707 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -47.99 -55.52 9.84 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.819 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.441 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -41.2 -50.85 4.42 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.987 -0.625 . . . . 15.0 113.301 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -64.19 -35.37 80.59 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.741 0.275 . . . . 15.0 111.741 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.573 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.0 mmmm -52.28 -47.88 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.284 0.476 . . . . 15.0 112.284 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.668 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 6.1 ptm180 -61.99 -43.16 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.078 -0.712 . . . . 15.0 109.078 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.856 HG22 ' HE2' ' P' ' 58' ' ' LYS . 13.7 mm -55.03 -58.11 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.408 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 56.0 ttt-85 -52.46 -33.33 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.815 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.671 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.8 t80 -55.61 -60.42 3.45 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.207 0.527 . . . . 15.0 110.437 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.528 ' HA ' HD11 ' P' ' 60' ' ' ILE . 75.1 mmtt -47.54 -18.13 0.12 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.763 1.023 . . . . 15.0 113.763 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.856 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.0 mptp? -74.45 -37.83 63.14 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.979 0.418 . . . . 15.0 110.319 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' P' ' 62' ' ' LYS . 44.0 m-20 -140.93 44.25 1.81 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.893 0.701 . . . . 15.0 112.893 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' P' ' 57' ' ' LYS . 47.8 mm -13.88 -69.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 114.977 1.473 . . . . 15.0 114.977 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.05 -26.03 47.94 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 113.786 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.1 tmtm? -68.33 -41.64 80.49 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.671 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 35.7 m-85 -78.17 -27.76 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.892 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 64' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.8 mt-30 -53.66 -62.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.302 -0.629 . . . . 15.0 109.302 179.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.47 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -51.82 -46.61 64.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.59 179.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -55.97 -51.92 65.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.739 -0.837 . . . . 15.0 108.739 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.66 -44.27 6.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.647 -1.161 . . . . 15.0 110.612 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -75.58 -31.49 59.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.654 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.47 HG13 ' O ' ' P' ' 65' ' ' GLU . 95.5 mt -66.9 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.966 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.61 -179.069 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 121.655 0.74 . . . . 15.0 109.162 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.578 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 40.3 t30 -60.24 -91.76 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.761 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.755 ' CD2' HG21 ' P' ' 40' ' ' ILE . 1.0 OUTLIER -72.98 112.35 8.93 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.986 -0.446 . . . . 15.0 111.578 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -74.78 -176.82 2.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.206 -0.452 . . . . 15.0 109.889 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -56.51 -37.3 70.24 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.837 0.351 . . . . 15.0 111.309 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.2 tp-100 -56.25 -50.61 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.219 0.533 . . . . 15.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -64.82 -46.1 83.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.746 -0.661 . . . . 15.0 111.666 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.2 p -56.09 -53.67 54.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.979 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.546 ' HA ' ' ND2' ' P' ' 17' ' ' ASN . 14.8 pt-20 -55.67 -40.47 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 15.0 110.695 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.483 HD12 ' O ' ' P' ' 11' ' ' GLN . 47.7 mt -72.42 -56.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.633 HD22 ' HE1' ' P' ' 49' ' ' PHE . 70.3 mt -57.83 -40.01 79.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.252 0.464 . . . . 15.0 112.252 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.546 ' ND2' ' HA ' ' P' ' 14' ' ' GLU . 3.8 p30 -60.37 -54.57 44.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.753 -0.379 . . . . 15.0 111.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 50.7 mm-40 -42.75 -49.51 5.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 15.0 111.727 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.562 ' CD2' HD11 ' P' ' 34' ' ' LEU . 7.9 t80 -73.54 -34.57 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.58 ' CE2' HD21 ' P' ' 23' A LEU . 36.5 t80 -55.54 -48.5 74.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 15.0 111.66 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' P' ' 67' ' ' ALA . 58.6 m-85 -66.9 14.53 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.917 0.34 . . . . 15.0 111.917 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.502 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.6 t -112.68 -24.5 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 15.0 110.208 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' P' ' 23' C ASN . 2.6 m-70 -122.91 34.48 5.12 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.074 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 23' A LEU . . . . . 0.58 HD21 ' CE2' ' P' ' 20' ' ' PHE . 0.8 OUTLIER -45.63 -58.62 3.29 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.042 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -57.84 -9.71 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.692 0.282 . . . . 15.0 111.381 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 23' C ASN . . . . . 0.431 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 74.6 m-80 -142.51 70.19 21.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 15.0 108.457 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.639 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 31.4 Cg_exo -63.38 56.15 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.723 2.949 . . . . 15.0 113.979 -177.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.532 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.6 p90 -154.75 120.32 2.66 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.581 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.707 ' HG3' HG12 ' P' ' 45' ' ' VAL . 10.1 Cg_endo -49.95 -150.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.242 2.628 . . . . 15.0 112.409 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.965 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 45.1 t -147.78 169.48 19.66 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.153 -1.795 . . . . 15.0 106.153 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -49.96 -53.83 23.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 118.887 0.767 . . . . 15.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.0 -31.18 69.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.559 -0.292 . . . . 15.0 110.646 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.965 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -64.64 -55.46 20.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 15.0 110.754 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.739 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.08 -24.57 63.03 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.121 -0.632 . . . . 15.0 110.392 178.762 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.519 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 51.3 mt-10 -75.86 -60.53 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 15.0 109.923 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.08 -48.61 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.954 -0.388 . . . . 15.0 109.954 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.653 HD12 HG11 ' P' ' 45' ' ' VAL . 95.7 mt -55.26 -61.86 2.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.712 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.424 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.19 -30.77 28.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 15.0 111.845 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.521 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.04 -45.02 36.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.978 0.894 . . . . 15.0 109.495 179.163 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.452 ' HE2' HG23 ' P' ' 15' ' ' ILE . 50.4 mtpt -67.44 -48.03 68.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.923 -1.49 . . . . 15.0 111.962 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.6 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 4.6 p -74.12 -50.33 19.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.579 -0.737 . . . . 15.0 112.104 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.65 22.33 5.44 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.242 -0.743 . . . . 15.0 111.242 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.953 HD11 HG22 ' P' ' 45' ' ' VAL . 21.0 pt -109.08 -162.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.553 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -121.72 145.49 47.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.739 HG13 ' HG3' ' P' ' 31' ' ' LYS . 17.5 t -27.29 -74.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.551 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.437 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.2 m -43.05 -32.56 0.69 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.437 0.902 . . . . 15.0 113.437 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.553 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.5 mm-40 -66.44 -38.13 86.72 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.519 -0.472 . . . . 15.0 110.308 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.953 HG22 HD11 ' P' ' 40' ' ' ILE . 66.1 t -57.51 -55.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.291 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -54.98 -27.27 42.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.159 0.505 . . . . 15.0 110.332 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 47' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 50.2 t-20 -73.56 -51.46 16.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.29 178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.49 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 53.7 t90 -57.12 -59.66 4.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.432 -0.803 . . . . 15.0 110.784 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.633 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.3 m-85 -48.31 -57.39 6.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.952 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.577 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.72 -35.45 7.63 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.672 -0.775 . . . . 15.0 112.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -73.35 -34.1 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 15.0 111.202 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' P' ' 20' ' ' PHE . 4.7 mmmp? -55.25 -47.27 75.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.419 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.7 ' NH1' HD11 ' P' ' 54' ' ' ILE . 17.1 ptt85 -61.91 -43.99 97.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.195 0.522 . . . . 15.0 110.102 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.857 HG22 ' HE3' ' P' ' 58' ' ' LYS . 28.7 mm -56.57 -69.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.865 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.483 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 15.5 ttp-105 -49.38 -28.52 5.12 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.783 0.325 . . . . 15.0 111.049 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.726 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.1 OUTLIER -57.95 -62.75 1.59 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.205 0.526 . . . . 15.0 110.096 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.674 ' HA ' ' HE2' ' P' ' 57' ' ' LYS . 9.6 mmpt? -45.78 -18.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.395 0.887 . . . . 15.0 113.395 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.857 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -79.92 -38.34 32.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.318 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' P' ' 62' ' ' LYS . 51.5 m-20 -134.94 41.14 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.584 HG23 ' HE1' ' P' ' 56' ' ' TYR . 28.2 mm -13.79 -72.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 114.779 1.4 . . . . 15.0 114.779 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.86 -24.22 13.03 Favored Glycine 0 C--N 1.336 0.583 0 CA-C-N 116.108 -0.496 . . . . 15.0 113.972 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 4.0 ttmp? -70.15 -36.85 75.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.952 0.406 . . . . 15.0 110.036 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 36.1 m-85 -83.09 -21.04 33.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.68 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.07 -68.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.779 -0.823 . . . . 15.0 108.779 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.458 ' O ' HG13 ' P' ' 69' ' ' ILE . 6.3 mp0 -51.18 -43.42 61.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.646 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 5.5 mm-40 -58.04 -53.01 63.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.453 0.644 . . . . 15.0 109.579 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.431 ' HA ' ' CD1' ' P' ' 21' ' ' TYR . . . -43.74 -44.1 6.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.943 -1.026 . . . . 15.0 111.111 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -80.75 -26.1 37.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.632 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.458 HG13 ' O ' ' P' ' 65' ' ' GLU . 35.5 mt -67.31 -58.05 7.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.576 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.923 -178.769 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 109.075 -0.713 . . . . 15.0 109.075 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' P' ' 8' ' ' PHE . 36.0 t30 -70.77 -97.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.932 -1.031 . . . . 15.0 112.468 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.955 ' CD1' HG21 ' P' ' 40' ' ' ILE . 51.2 m-85 -59.1 110.05 0.97 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 118.372 0.533 . . . . 15.0 111.346 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 9' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.8 t-20 -66.22 165.92 12.94 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.444 -0.798 . . . . 15.0 111.188 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.498 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 31.5 mmmt -53.64 -24.8 15.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.077 0.465 . . . . 15.0 110.795 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 13.0 tp-100 -72.1 -47.56 50.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.488 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.615 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.21 -44.54 95.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 15.0 111.946 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.488 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 65.2 p -54.79 -56.32 20.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.911 -0.586 . . . . 15.0 112.055 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 16.6 pt-20 -54.39 -39.77 67.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.376 0.607 . . . . 15.0 110.847 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' P' ' 38' ' ' SER . 76.2 mt -67.05 -56.47 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.129 -0.941 . . . . 15.0 112.387 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.57 HD22 ' HE1' ' P' ' 49' ' ' PHE . 78.0 mt -60.72 -47.48 86.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.57 0.582 . . . . 15.0 112.57 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.493 ' HB2' ' CE2' ' P' ' 21' ' ' TYR . 23.5 p30 -60.98 -52.26 65.77 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.511 -0.475 . . . . 15.0 111.331 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 46.3 mt-10 -46.52 -38.25 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 15.0 110.952 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.518 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.8 t80 -78.38 -41.98 31.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.041 0.448 . . . . 15.0 110.191 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' P' ' 52' ' ' LYS . 30.7 t80 -49.88 -51.28 41.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.004 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.529 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 63.3 m-85 -58.52 7.0 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.572 0.582 . . . . 15.0 112.572 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.522 ' H ' ' C ' ' P' ' 20' ' ' PHE . 48.8 m -109.94 -22.63 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 15.0 110.511 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' P' ' 23' C ASN . 3.6 m-70 -126.44 37.6 4.28 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.342 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 23' A LEU . . . . . 0.606 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.3 -61.97 1.45 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.937 0.347 . . . . 15.0 111.937 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 55.7 m -58.66 -12.9 4.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.049 0.388 . . . . 15.0 112.049 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 23' C ASN . . . . . 0.46 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 16.4 p30 -153.36 67.18 6.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.645 -0.502 . . . . 15.0 109.645 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.708 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 15.8 Cg_exo -70.11 65.46 2.0 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.276 2.651 . . . . 15.0 112.786 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.622 ' O ' ' O ' ' P' ' 26' ' ' PRO . 0.2 OUTLIER -130.04 106.21 16.55 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.862 -0.608 . . . . 15.0 109.835 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.622 ' O ' ' O ' ' P' ' 25' ' ' TYR . 10.2 Cg_endo -49.64 -150.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.389 2.06 . . . . 15.0 111.179 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 27' ' ' SER . . . . . 1.018 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 56.0 m -159.55 168.41 26.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.564 -1.643 . . . . 15.0 106.564 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -46.86 -51.59 16.31 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.156 -0.618 . . . . 15.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -69.76 -34.72 74.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.479 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 1.018 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.79 -58.15 7.71 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 121.288 -0.165 . . . . 15.0 110.874 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.615 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -57.81 -24.0 55.26 Favored 'General case' 0 N--CA 1.461 0.079 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.082 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.499 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 39.5 mt-10 -75.82 -59.12 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.485 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.56 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.21 -50.7 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.192 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.802 HD12 HG11 ' P' ' 45' ' ' VAL . 97.3 mt -53.49 -60.92 2.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.985 0.421 . . . . 15.0 110.349 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.425 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.88 -31.34 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.588 . . . . 15.0 112.259 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.529 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.4 OUTLIER -76.09 -46.14 30.46 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.98 0.895 . . . . 15.0 109.54 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.442 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.8 mtpp -67.63 -45.46 75.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.871 -1.513 . . . . 15.0 111.598 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.615 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.4 m -73.9 -52.16 13.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.313 -0.858 . . . . 15.0 112.177 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 18.76 6.02 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.144 -0.782 . . . . 15.0 111.144 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.955 HG21 ' CD1' ' P' ' 8' ' ' PHE . 18.2 pt -108.93 -161.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.56 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.3 t -121.8 146.2 47.31 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.462 -0.94 . . . . 15.0 108.462 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.615 HG13 ' CB ' ' P' ' 31' ' ' LYS . 5.1 t -28.04 -74.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 123.352 0.408 . . . . 15.0 111.681 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.55 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.2 m -42.65 -32.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.509 0.929 . . . . 15.0 113.509 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.56 ' OE1' HG22 ' P' ' 41' ' ' THR . 86.7 mt-30 -66.85 -34.25 77.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.317 -0.553 . . . . 15.0 110.367 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.802 HG11 HD12 ' P' ' 34' ' ' LEU . 58.6 t -62.45 -58.4 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.561 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -53.22 -27.26 21.05 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.333 0.587 . . . . 15.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -73.8 -50.91 18.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.237 -0.892 . . . . 15.0 109.258 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.475 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 79.1 t90 -57.61 -58.26 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.433 -0.803 . . . . 15.0 111.02 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.57 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.3 m-85 -48.38 -58.41 4.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.612 -0.722 . . . . 15.0 111.674 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -39.19 -56.73 2.23 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.157 -0.544 . . . . 15.0 113.578 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -69.33 -23.19 63.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.577 0.227 . . . . 15.0 111.508 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' P' ' 20' ' ' PHE . 0.4 OUTLIER -60.19 -45.24 93.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -179.048 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.708 ' HB3' ' HG2' ' P' ' 24' ' ' PRO . 8.6 ptm180 -68.49 -42.2 78.96 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.638 -0.505 . . . . 15.0 109.638 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.978 HG22 ' HE3' ' P' ' 58' ' ' LYS . 18.2 mm -54.4 -51.92 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.203 -1.036 . . . . 15.0 108.203 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' P' ' 55' ' ' ARG . 0.2 OUTLIER -53.3 -40.17 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.731 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.688 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -49.55 -60.21 3.07 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.925 -0.58 . . . . 15.0 111.127 179.475 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.601 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 60.8 mttt -52.27 -18.38 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.352 1.242 . . . . 15.0 114.352 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.978 ' HE3' HG22 ' P' ' 54' ' ' ILE . 1.1 mptm? -70.11 -38.04 75.5 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' P' ' 62' ' ' LYS . 2.5 m120 -139.01 45.34 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 15.0 112.881 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.601 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.8 mm -13.9 -71.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 115.109 1.522 . . . . 15.0 115.109 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.85 -23.77 23.82 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 116.094 -0.503 . . . . 15.0 113.981 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' P' ' 59' ' ' ASN . 60.9 tttm -71.22 -40.06 71.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.058 0.456 . . . . 15.0 110.257 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.637 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 38.5 m-85 -82.6 -23.89 34.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 15.0 111.685 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -64.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.423 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.7 tp10 -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.781 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 54.6 mt-10 -58.95 -52.76 64.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.281 -0.637 . . . . 15.0 109.281 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.8 -41.18 4.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.348 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -73.29 -39.17 65.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.016 0.436 . . . . 15.0 110.084 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.423 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.7 mt -59.16 -62.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.679 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 70' ' ' TYR . . . . . 0.529 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.3 m-85 . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 15.0 111.483 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.024 0.44 . . . . 15.0 111.013 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.46 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 51.6 t30 -55.36 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.045 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.886 ' CD2' HG21 ' P' ' 40' ' ' ILE . 12.1 m-85 -62.64 107.33 0.93 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 118.784 0.72 . . . . 15.0 111.17 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.58 175.76 3.94 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.866 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.473 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.2 OUTLIER -56.51 -21.38 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.334 . . . . 15.0 111.869 -179.375 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' P' ' 14' ' ' GLU . 49.8 tt0 -75.29 -48.17 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 15.0 110.558 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.646 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.23 -43.02 99.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.803 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -56.7 -55.07 38.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.582 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.437 ' HA ' HD21 ' P' ' 17' ' ' ASN . 0.1 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.288 0.566 . . . . 15.0 110.648 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' P' ' 38' ' ' SER . 97.5 mt -71.68 -55.77 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.868 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.646 HD22 ' HE1' ' P' ' 49' ' ' PHE . 74.1 mt -60.89 -43.62 98.24 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.485 ' HB2' ' CE2' ' P' ' 21' ' ' TYR . 17.4 p30 -60.39 -52.87 63.4 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.257 -0.577 . . . . 15.0 111.007 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 48.1 mt-10 -44.78 -36.65 3.32 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.85 0.357 . . . . 15.0 110.826 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.708 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -82.9 -37.45 24.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.395 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.636 ' CZ ' HD22 ' P' ' 23' A LEU . 27.8 t80 -51.83 -51.83 53.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.313 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 66.1 m-85 -58.0 6.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.771 -0.65 . . . . 15.0 112.675 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.505 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.9 t -110.62 -21.53 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 15.0 110.846 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' P' ' 23' C ASN . 3.3 m-70 -129.54 36.29 4.12 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.342 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 23' A LEU . . . . . 0.645 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 6.5 mt -45.89 -64.08 0.82 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.311 0.486 . . . . 15.0 112.311 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 54.1 m -60.8 -12.65 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.432 0.53 . . . . 15.0 112.432 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 23' C ASN . . . . . 0.533 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 0.5 OUTLIER -155.89 70.42 5.21 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.291 . . . . 15.0 110.578 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' O ' ' P' ' 23' A LEU . 73.4 Cg_endo -75.51 83.55 1.88 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.551 2.167 . . . . 15.0 112.879 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' P' ' 23' C ASN . 10.7 m-85 -132.19 82.69 57.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.844 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.778 ' HG3' HG12 ' P' ' 45' ' ' VAL . 61.0 Cg_endo -61.71 94.55 0.13 Allowed 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.955 2.436 . . . . 15.0 111.548 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.466 ' O ' ' O ' ' P' ' 26' ' ' PRO . 55.6 m -37.58 166.42 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.118 -0.946 . . . . 15.0 111.519 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 4.5 mm-40 -44.99 -45.34 10.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.602 -0.727 . . . . 15.0 110.694 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.79 -30.54 64.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.725 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.708 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -66.22 -56.2 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.371 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.898 ' HG3' HG13 ' P' ' 42' ' ' VAL . 2.5 ptmt -61.08 -23.45 65.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 15.0 110.16 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.514 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 86.3 mt-10 -75.59 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 15.0 109.202 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -57.85 -46.67 84.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.804 HD12 HG11 ' P' ' 45' ' ' VAL . 94.0 mt -55.26 -60.96 2.67 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.961 -0.563 . . . . 15.0 109.918 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.409 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.51 -31.01 44.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.686 . . . . 15.0 112.242 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.514 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.51 -46.62 31.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.92 0.867 . . . . 15.0 109.378 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.1 mtpp -66.05 -46.86 76.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 113.912 -1.495 . . . . 15.0 111.67 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.696 ' HA ' HD12 ' P' ' 15' ' ' ILE . 9.0 p -74.17 -51.79 14.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.182 -0.917 . . . . 15.0 112.549 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.04 6.46 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.206 -0.758 . . . . 15.0 111.206 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.886 HG21 ' CD2' ' P' ' 8' ' ' PHE . 19.0 pt -106.54 -163.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.535 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -120.66 141.93 49.93 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.898 HG13 ' HG3' ' P' ' 31' ' ' LYS . 28.9 t -23.72 -76.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 15.0 111.955 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.446 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.0 m -42.38 -30.26 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.473 0.916 . . . . 15.0 113.473 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.535 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 42.4 mm-40 -66.76 -35.95 81.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-O 121.106 0.479 . . . . 15.0 110.152 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.822 HG22 HD11 ' P' ' 40' ' ' ILE . 57.9 t -61.22 -58.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.514 . . . . 15.0 110.56 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -52.95 -29.02 26.39 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.38 0.61 . . . . 15.0 109.88 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -73.76 -51.82 15.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.049 -0.978 . . . . 15.0 109.355 178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 38.4 t90 -57.7 -60.23 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.187 -0.915 . . . . 15.0 111.241 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.646 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.4 m-85 -47.95 -56.62 7.19 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.435 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.534 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.25 -45.56 6.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.542 -0.837 . . . . 15.0 112.689 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -68.95 -26.65 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.489 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 3.3 mmmp? -60.23 -47.29 86.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 15.0 111.441 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.754 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 12.0 ptt85 -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 15.0 109.794 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.906 HG22 ' HE3' ' P' ' 58' ' ' LYS . 24.4 mm -55.53 -58.8 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.196 -0.668 . . . . 15.0 109.196 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.48 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 48.7 mmt-85 -49.49 -38.25 29.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.895 0.379 . . . . 15.0 111.052 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 1.018 ' O ' HD13 ' P' ' 60' ' ' ILE . 20.3 t80 -47.2 -60.66 2.33 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.274 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.759 ' HA ' HD11 ' P' ' 60' ' ' ILE . 69.3 mmtt -45.83 -23.28 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.906 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.3 OUTLIER -86.68 -40.29 15.23 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.224 0.453 . . . . 15.0 112.224 -178.617 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' P' ' 60' ' ' ILE . 62.2 m-20 -137.19 30.91 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.779 1.029 . . . . 15.0 113.779 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 1.018 HD13 ' O ' ' P' ' 56' ' ' TYR . 7.6 mm -13.5 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 114.583 1.327 . . . . 15.0 114.583 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.48 -20.17 3.57 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.49 -0.777 . . . . 15.0 114.562 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 63.7 tttm -75.58 -35.38 60.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.021 0.439 . . . . 15.0 110.144 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 4.5 m-30 -75.13 -32.35 61.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.232 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.18 -65.06 0.71 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.954 0.406 . . . . 15.0 110.444 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.92 -52.19 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.3 mm-40 -55.3 -54.39 44.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' P' ' 63' ' ' PHE . . . -42.99 -40.31 2.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.268 -0.878 . . . . 15.0 110.636 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.75 -35.08 78.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.179 0.514 . . . . 15.0 109.717 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' P' ' 66' ' ' GLU . 62.9 mt -71.15 -45.78 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.397 -0.82 . . . . 15.0 110.642 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.338 179.612 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 . . . . . 0 N--CA 1.467 0.405 0 N-CA-C 108.018 -1.105 . . . . 15.0 108.018 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -63.3 -92.33 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.353 -1.294 . . . . 15.0 111.81 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.874 ' CD1' HG21 ' P' ' 40' ' ' ILE . 33.9 m-85 -58.9 107.21 0.5 Allowed 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 121.978 -0.451 . . . . 15.0 111.472 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -68.19 171.7 6.72 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -55.78 -20.88 16.53 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 111.907 0.336 . . . . 15.0 111.907 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.601 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 38.1 tt0 -72.44 -47.39 49.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.187 0.518 . . . . 15.0 110.239 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.61 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.88 -43.3 99.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.795 -0.639 . . . . 15.0 111.543 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 62.6 p -54.34 -56.76 15.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.646 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 22.2 pt-20 -53.49 -40.79 65.62 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.181 0.515 . . . . 15.0 111.038 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.438 HD13 ' C ' ' P' ' 37' ' ' LYS . 51.0 mt -70.31 -55.53 14.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 15.0 112.9 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.714 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.8 mt -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.497 0.555 . . . . 15.0 112.497 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' P' ' 13' ' ' THR . 21.2 p30 -60.61 -53.97 50.98 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.4 -0.52 . . . . 15.0 111.752 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.485 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 97.2 mt-10 -45.32 -46.0 12.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.68 0.276 . . . . 15.0 111.439 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.415 ' CD2' HD11 ' P' ' 34' ' ' LEU . 17.0 t80 -72.58 -38.23 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 15.0 110.216 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.775 ' CE1' HD21 ' P' ' 23' A LEU . 0.3 OUTLIER -53.26 -50.59 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.679 178.722 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 75.0 m-85 -57.26 5.41 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.513 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.5 t -109.56 -21.46 12.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.61 0.243 . . . . 15.0 110.827 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' P' ' 23' C ASN . 3.6 m-70 -126.64 37.09 4.36 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.848 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 23' A LEU . . . . . 0.775 HD21 ' CE1' ' P' ' 20' ' ' PHE . 7.0 mt -44.8 -61.25 1.66 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.866 -0.333 . . . . 15.0 111.324 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 55.0 m -57.77 -8.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.685 0.254 . . . . 15.0 111.685 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 23' C ASN . . . . . 0.554 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 76.7 m-20 -150.05 65.96 7.71 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 109.629 -0.508 . . . . 15.0 109.629 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.64 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 19.5 Cg_exo -69.92 50.29 0.84 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.363 2.709 . . . . 15.0 114.152 -177.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' P' ' 26' ' ' PRO . 3.0 p90 -133.05 112.03 13.27 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.757 ' HG3' HG12 ' P' ' 45' ' ' VAL . 5.9 Cg_endo -47.2 -152.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.734 . . . . 15.0 112.935 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.996 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 59.4 m -152.94 170.75 19.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 106.458 -1.682 . . . . 15.0 106.458 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -49.32 -53.0 24.24 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 118.523 0.601 . . . . 15.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.34 -33.41 73.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.667 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.996 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.01 -55.85 22.12 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.098 -0.241 . . . . 15.0 110.639 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.638 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.64 -24.11 63.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.147 -0.621 . . . . 15.0 110.344 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.507 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.7 mt-10 -75.75 -60.31 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.634 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.7 pt-20 -58.56 -48.86 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.291 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.711 HD12 HG11 ' P' ' 45' ' ' VAL . 96.2 mt -55.85 -59.83 4.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.004 0.431 . . . . 15.0 110.561 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.43 -31.14 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 15.0 112.265 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.529 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.3 OUTLIER -76.08 -46.41 29.16 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 122.022 0.915 . . . . 15.0 109.266 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.438 ' C ' HD13 ' P' ' 15' ' ' ILE . 51.0 mtpt -67.04 -45.32 77.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.882 -1.508 . . . . 15.0 111.437 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.61 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 25.9 m -74.2 -51.46 15.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.244 -0.889 . . . . 15.0 112.233 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.91 7.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.11 -0.796 . . . . 15.0 111.11 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.874 HG21 ' CD1' ' P' ' 8' ' ' PHE . 25.1 pt -107.04 -162.55 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.549 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 8.4 t -121.27 144.18 48.76 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' P' ' 31' ' ' LYS . 9.5 t -26.73 -74.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.914 0.387 . . . . 15.0 111.689 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.509 ' N ' HG12 ' P' ' 42' ' ' VAL . 52.8 m -42.56 -31.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.293 0.849 . . . . 15.0 113.293 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.549 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 28.3 mm100 -66.69 -35.16 79.49 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.487 -0.485 . . . . 15.0 110.314 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.823 HG22 HD11 ' P' ' 40' ' ' ILE . 61.2 t -61.92 -58.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.602 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -53.55 -27.44 26.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.285 0.564 . . . . 15.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -73.79 -51.13 17.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.215 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 52.3 t90 -57.64 -60.63 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.218 -0.901 . . . . 15.0 111.426 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.714 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.2 m-85 -47.9 -57.95 5.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.843 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.474 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -39.04 -51.71 2.68 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.996 -0.621 . . . . 15.0 113.367 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.49 -25.88 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.062 0.393 . . . . 15.0 112.062 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.522 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 31.2 mmmt -58.04 -49.39 77.03 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.554 0.205 . . . . 15.0 111.554 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 11.6 ptt85 -64.24 -42.04 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 15.0 110.021 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.941 HG22 ' HE3' ' P' ' 58' ' ' LYS . 27.7 mm -54.62 -54.1 25.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.332 -0.618 . . . . 15.0 109.332 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.467 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 46.4 mmm-85 -53.06 -32.3 46.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.987 0.422 . . . . 15.0 110.85 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.849 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 76.7 t80 -52.27 -62.99 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.819 -0.628 . . . . 15.0 110.765 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.728 ' HA ' HD11 ' P' ' 60' ' ' ILE . 71.7 mmtt -45.89 -22.03 0.17 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.186 0.81 . . . . 15.0 113.186 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.941 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.2 OUTLIER -87.13 -35.44 18.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.86 0.362 . . . . 15.0 110.648 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.67 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.9 p30 -134.53 31.54 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.728 HD11 ' HA ' ' P' ' 57' ' ' LYS . 39.4 mm -13.37 -69.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 114.894 1.442 . . . . 15.0 114.894 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.65 -19.46 6.54 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 114.653 0.621 . . . . 15.0 114.653 -177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.67 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 59.6 tttp -69.69 -39.64 76.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.767 0.283 . . . . 15.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.757 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.3 m-85 -78.0 -24.74 47.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.517 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -57.77 -70.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.437 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -52.09 -46.86 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.78 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 53.8 mt-10 -56.33 -53.8 53.03 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.406 0.622 . . . . 15.0 109.445 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.84 -43.67 6.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.881 -1.054 . . . . 15.0 110.551 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -70.38 -33.96 72.02 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.167 0.508 . . . . 15.0 110.288 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.437 HG13 ' O ' ' P' ' 65' ' ' GLU . 97.9 mt -67.4 -61.84 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.069 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 70' ' ' TYR . . . . . 0.454 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 57.9 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.586 -0.733 . . . . 15.0 111.708 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.66 0.743 . . . . 15.0 109.875 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -54.25 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.234 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.877 ' CD1' HG21 ' P' ' 40' ' ' ILE . 19.0 m-85 -62.69 107.67 1.01 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 118.921 0.782 . . . . 15.0 111.349 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 9' ' ' ASN . . . . . 0.517 ' O ' HG23 ' P' ' 13' ' ' THR . 5.8 m-20 -69.09 176.67 3.07 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.594 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -58.12 -19.77 35.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 15.0 111.58 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -75.53 -48.78 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.245 0.545 . . . . 15.0 110.239 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.629 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.92 -40.94 97.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.688 -0.687 . . . . 15.0 111.819 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.517 HG23 ' O ' ' P' ' 9' ' ' ASN . 57.7 p -56.34 -55.31 35.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 15.0 112.036 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 17.7 pt-20 -56.23 -40.23 73.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.336 0.589 . . . . 15.0 110.833 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' P' ' 38' ' ' SER . 75.0 mt -67.78 -56.62 12.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.272 -0.876 . . . . 15.0 112.324 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.56 HD22 ' HE1' ' P' ' 49' ' ' PHE . 75.4 mt -61.46 -46.61 89.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.637 0.606 . . . . 15.0 112.637 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.6 p30 -60.85 -52.22 65.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.326 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.548 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 43.6 mt-10 -46.24 -39.05 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 15.0 111.044 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.641 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -77.19 -41.18 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 15.0 110.184 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.58 ' CE2' HD21 ' P' ' 23' A LEU . 5.6 t80 -51.15 -46.25 61.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 15.0 111.731 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 74.0 m-85 -65.8 11.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.933 0.345 . . . . 15.0 111.933 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.479 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.0 m -110.09 -25.49 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 15.0 110.313 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' P' ' 23' C ASN . 3.0 m-70 -124.66 37.19 4.45 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.926 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 23' A LEU . . . . . 0.714 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.2 mt -45.51 -61.78 1.55 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.493 -0.321 . . . . 15.0 111.773 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -59.56 -14.25 12.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.426 0.528 . . . . 15.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 23' C ASN . . . . . 0.527 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 75.6 m-80 -161.07 69.59 2.58 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 120.633 0.254 . . . . 15.0 110.37 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.714 ' HD3' ' O ' ' P' ' 23' A LEU . 67.1 Cg_endo -74.29 80.96 2.11 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.569 2.18 . . . . 15.0 112.596 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' P' ' 23' C ASN . 10.8 m-85 -125.12 90.33 51.14 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.652 -0.704 . . . . 15.0 109.923 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.836 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.4 Cg_endo -64.19 92.08 0.18 Allowed 'Trans proline' 0 CA--C 1.51 -0.696 0 C-N-CA 122.469 2.113 . . . . 15.0 110.657 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.432 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 51.4 m -39.36 166.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.274 -179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.507 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 50.4 mt-10 -43.99 -45.31 7.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.425 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.84 -35.23 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.745 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -63.2 -57.82 9.24 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.772 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.93 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.65 -22.95 62.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 15.0 110.125 178.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.522 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 34.5 mt-10 -75.82 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.132 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.07 -49.42 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.5 -0.556 . . . . 15.0 109.5 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.741 HD12 HG11 ' P' ' 45' ' ' VAL . 95.9 mt -52.28 -61.34 2.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.93 0.395 . . . . 15.0 110.142 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.3 -30.93 52.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.021 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.8 -44.38 41.58 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.976 0.894 . . . . 15.0 109.31 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' P' ' 15' ' ' ILE . 25.1 mtpp -68.87 -45.97 69.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.884 -1.507 . . . . 15.0 111.616 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.629 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 34.6 m -73.62 -52.02 14.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.422 -0.808 . . . . 15.0 112.406 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.92 20.77 5.91 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.027 -0.829 . . . . 15.0 111.027 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' P' ' 8' ' ' PHE . 21.7 pt -108.05 -162.89 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.548 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 8.8 t -119.38 141.42 49.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.445 -0.946 . . . . 15.0 108.445 177.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.93 HG13 ' HG3' ' P' ' 31' ' ' LYS . 15.5 t -24.13 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.376 0.423 . . . . 15.0 111.604 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.529 ' N ' HG12 ' P' ' 42' ' ' VAL . 52.6 m -42.01 -30.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.355 0.872 . . . . 15.0 113.355 -178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.548 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 28.0 mm100 -66.97 -33.83 76.43 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.403 -0.519 . . . . 15.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.874 HG22 HD11 ' P' ' 40' ' ' ILE . 60.2 t -64.46 -60.29 2.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.559 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -51.8 -26.98 10.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.338 0.59 . . . . 15.0 110.057 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -73.83 -50.58 19.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.365 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.545 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 74.2 t90 -57.64 -59.58 4.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.493 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.56 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.8 m-85 -48.14 -58.82 3.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.44 -0.8 . . . . 15.0 111.83 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.484 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -38.93 -53.4 2.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.047 -0.597 . . . . 15.0 113.307 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -74.22 -23.15 59.14 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.63 0.233 . . . . 15.0 111.63 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.484 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 53.4 tptt -59.06 -42.87 91.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 15.0 110.981 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.649 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 15.7 ptt85 -71.1 -42.3 69.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.602 -0.518 . . . . 15.0 109.602 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.878 HG22 ' HE2' ' P' ' 58' ' ' LYS . 37.4 mm -54.68 -52.78 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 107.746 -1.205 . . . . 15.0 107.746 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.408 ' HG2' ' HZ ' ' P' ' 63' ' ' PHE . 34.9 ttm180 -51.35 -41.65 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.242 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.715 ' HA ' ' CE2' ' P' ' 63' ' ' PHE . 1.2 t80 -51.39 -59.92 3.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.714 -0.676 . . . . 15.0 111.013 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.495 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 75.2 mmtt -46.88 -18.17 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.944 1.09 . . . . 15.0 113.944 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.878 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.3 mptp? -75.6 -37.55 59.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.919 0.39 . . . . 15.0 110.363 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.6 m-80 -138.24 43.05 2.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.065 0.765 . . . . 15.0 113.065 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.495 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.5 mm -13.59 -71.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 115.056 1.502 . . . . 15.0 115.056 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.15 -22.61 29.7 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 116.044 -0.525 . . . . 15.0 114.308 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.2 tttm -74.02 -37.64 64.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 15.0 110.329 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.715 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 86.8 m-85 -79.83 -32.77 40.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 15.0 111.599 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 64' ' ' GLN . . . . . 0.474 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 85.2 mt-30 -53.93 -61.66 2.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.601 -0.518 . . . . 15.0 109.601 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.478 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -52.12 -45.01 64.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.709 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.2 mt-10 -57.01 -51.62 68.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.028 -0.731 . . . . 15.0 109.028 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.42 -41.44 4.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.509 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -74.93 -33.59 61.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.501 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.478 HG13 ' O ' ' P' ' 65' ' ' GLU . 81.7 mt -64.83 -55.03 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.098 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.948 0.404 . . . . 15.0 111.115 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 6' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' P' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 112.736 0.643 . . . . 15.0 112.736 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -87.13 -83.81 0.19 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.986 -1.007 . . . . 15.0 109.886 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.624 ' CE2' ' HB2' ' P' ' 48' ' ' TRP . 1.2 m-30 -85.17 117.35 24.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.882 -0.414 . . . . 15.0 109.882 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -70.93 173.89 6.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.042 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -54.92 -26.85 38.87 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.766 0.317 . . . . 15.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.633 ' O ' HD12 ' P' ' 15' ' ' ILE . 3.9 tp-100 -68.29 -49.07 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 15.0 109.888 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.648 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.64 -48.16 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.516 -0.766 . . . . 15.0 111.351 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 73.4 p -53.16 -57.31 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 15.0 111.568 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.6 pt-20 -53.93 -40.69 66.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.276 0.56 . . . . 15.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.633 HD12 ' O ' ' P' ' 11' ' ' GLN . 37.4 mt -67.72 -54.45 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.507 -0.77 . . . . 15.0 111.989 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.718 HD22 ' HE1' ' P' ' 49' ' ' PHE . 80.6 mt -63.07 -48.92 76.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.536 0.569 . . . . 15.0 112.536 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.4 p30 -60.97 -53.11 61.29 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.372 -0.531 . . . . 15.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.503 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.9 mt-10 -47.32 -37.36 10.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.742 0.306 . . . . 15.0 111.025 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 19' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -82.93 -37.69 23.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.988 0.423 . . . . 15.0 109.919 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' P' ' 23' A LEU . 25.2 t80 -49.47 -48.92 47.38 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.73 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 71.4 m-85 -59.86 7.6 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.849 -0.614 . . . . 15.0 112.485 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.506 ' H ' ' C ' ' P' ' 20' ' ' PHE . 52.5 m -113.7 -23.47 9.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.7 0.286 . . . . 15.0 110.557 179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.435 ' HB3' ' OD1' ' P' ' 23' C ASN . 2.3 m-70 -120.32 33.69 5.5 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.29 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 23' A LEU . . . . . 0.616 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.5 mt -47.13 -62.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.408 . . . . 15.0 111.57 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -59.23 -14.81 12.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 15.0 112.031 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 23' C ASN . . . . . 0.509 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 12.0 p30 -142.25 72.59 21.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.072 0.463 . . . . 15.0 110.365 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' O ' ' P' ' 23' A LEU . 45.8 Cg_endo -66.23 63.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.355 2.703 . . . . 15.0 113.713 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' P' ' 23' C ASN . 0.1 OUTLIER -154.21 99.3 2.51 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.331 -0.618 . . . . 15.0 109.331 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.788 ' HG3' HG12 ' P' ' 45' ' ' VAL . 95.6 Cg_endo -71.67 116.44 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.348 2.699 . . . . 15.0 113.239 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 27' ' ' SER . . . . . . . . . . . . . 47.6 t -37.03 158.45 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.11 -0.95 . . . . 15.0 111.083 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.524 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -45.69 -42.7 11.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.716 -0.674 . . . . 15.0 110.82 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -75.73 -24.79 56.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.872 0.368 . . . . 15.0 110.753 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -67.85 -55.22 13.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.099 -0.5 . . . . 15.0 109.844 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.96 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -61.29 -21.74 64.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 15.0 110.205 178.477 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 89.0 mt-10 -75.43 -60.2 2.41 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 177.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.61 -46.16 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.263 -0.643 . . . . 15.0 109.263 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.704 HD12 HG11 ' P' ' 45' ' ' VAL . 96.4 mt -55.8 -61.27 2.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.11 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.54 -29.61 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 15.0 112.408 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.8 OUTLIER -75.34 -46.72 31.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.014 0.912 . . . . 15.0 108.652 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.47 ' HE3' HG23 ' P' ' 15' ' ' ILE . 26.1 mtpp -64.83 -50.48 66.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.842 -1.526 . . . . 15.0 110.426 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.648 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 36.5 p -74.05 -53.0 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.904 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.32 5.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 15.0 112.169 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.956 HD11 HG22 ' P' ' 45' ' ' VAL . 4.3 pt -101.56 -168.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.464 0.173 . . . . 15.0 110.695 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.522 ' O ' ' N ' ' P' ' 43' ' ' SER . 5.1 t -108.56 84.84 2.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.589 0.233 . . . . 15.0 110.773 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.96 HG13 ' HG3' ' P' ' 31' ' ' LYS . 16.4 t 19.59 -81.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 124.195 0.934 . . . . 15.0 112.066 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.601 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.6 m -45.49 -23.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.336 -0.393 . . . . 15.0 111.906 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.448 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 5.2 tp60 -67.2 -36.12 81.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.956 HG22 HD11 ' P' ' 40' ' ' ILE . 60.1 t -59.06 -56.82 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.946 -1.024 . . . . 15.0 110.16 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -56.12 -27.84 55.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.468 0.651 . . . . 15.0 110.052 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 47' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' P' ' 44' ' ' GLN . 53.1 m-20 -73.34 -52.13 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.829 -1.078 . . . . 15.0 109.479 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.624 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 83.8 t90 -57.95 -53.56 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.306 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.718 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.8 m-85 -47.84 -53.02 16.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.45 -0.796 . . . . 15.0 111.19 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -54.09 -33.19 50.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.983 -1.103 . . . . 15.0 111.319 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 51' ' ' ASN . . . . . 0.475 ' HA ' HG12 ' P' ' 54' ' ' ILE . 20.0 t-20 -77.49 -37.11 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 15.0 110.813 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.504 ' HG3' ' CD2' ' P' ' 20' ' ' PHE . 27.8 tptp -60.3 -31.38 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 15.0 111.693 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.2 ptm180 -73.71 -38.09 64.95 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.099 -0.704 . . . . 15.0 109.099 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.917 HG22 ' HE2' ' P' ' 58' ' ' LYS . 7.7 mm -55.07 -56.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.51 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -49.87 -39.91 40.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.893 0.377 . . . . 15.0 110.717 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.674 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -51.49 -60.6 2.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.756 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.56 ' HA ' HD11 ' P' ' 60' ' ' ILE . 75.0 mmtt -47.07 -19.03 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.202 1.186 . . . . 15.0 114.202 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.917 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.2 mptp? -75.3 -38.54 60.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.922 0.391 . . . . 15.0 110.635 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' P' ' 62' ' ' LYS . 47.5 m-20 -139.32 42.93 2.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.882 0.697 . . . . 15.0 112.882 -178.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' P' ' 57' ' ' LYS . 45.2 mm -13.58 -71.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 114.914 1.45 . . . . 15.0 114.914 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.46 -25.03 26.02 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 116.153 -0.476 . . . . 15.0 113.626 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.4 tmtm? -71.19 -39.89 71.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.674 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 44.2 m-85 -79.54 -31.16 42.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 15.0 111.617 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 64' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.5 mt-30 -51.48 -64.4 0.83 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.437 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.4 tt0 -51.93 -44.07 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.616 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 55.2 mt-10 -57.04 -52.01 66.97 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.14 -40.41 3.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.759 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -73.76 -35.02 64.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 15.0 110.343 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.437 HG13 ' O ' ' P' ' 65' ' ' GLU . 77.2 mt -66.62 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.804 -0.634 . . . . 15.0 111.025 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.859 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 N--CA 1.463 0.178 0 N-CA-C 109.175 -0.676 . . . . 15.0 109.175 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 19.1 t30 -66.06 -98.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.074 -0.966 . . . . 15.0 111.195 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.859 ' CD1' HG21 ' P' ' 40' ' ' ILE . 12.5 m-85 -56.17 100.35 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 118.575 0.625 . . . . 15.0 111.093 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -64.79 170.76 3.9 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.453 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -52.2 -21.23 3.17 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.753 0.311 . . . . 15.0 111.482 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.609 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 50.7 tt0 -77.93 -45.43 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.138 0.494 . . . . 15.0 110.268 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.635 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.62 -43.38 97.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 15.0 112.051 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.6 p -57.6 -55.22 37.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.706 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.5 pt-20 -52.36 -40.36 61.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.449 0.642 . . . . 15.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' P' ' 38' ' ' SER . 75.1 mt -69.61 -55.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 15.0 113.104 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.483 HD22 HG13 ' P' ' 45' ' ' VAL . 89.2 mt -60.08 -47.51 85.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.81 0.67 . . . . 15.0 112.81 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.557 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.1 p30 -60.98 -52.32 65.52 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.307 -0.557 . . . . 15.0 111.319 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 47.9 mt-10 -46.36 -39.8 10.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.751 0.31 . . . . 15.0 110.918 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.721 ' CD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -77.93 -39.96 41.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.108 0.48 . . . . 15.0 110.166 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.552 ' CE2' HD21 ' P' ' 23' A LEU . 5.6 t80 -51.83 -51.36 57.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.492 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 66.5 m-85 -59.08 5.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.487 0.551 . . . . 15.0 112.487 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.493 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.2 m -108.88 -23.64 11.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 15.0 110.53 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' P' ' 23' C ASN . 3.2 m-70 -125.89 38.4 4.16 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.134 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 23' A LEU . . . . . 0.678 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.5 mt -45.79 -63.48 0.96 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.11 0.411 . . . . 15.0 112.11 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 56.3 m -58.99 -13.48 6.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.21 0.448 . . . . 15.0 112.21 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 23' C ASN . . . . . 0.505 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 15.9 p-10 -157.89 72.07 4.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.689 0.28 . . . . 15.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.678 ' HD3' ' O ' ' P' ' 23' A LEU . 58.7 Cg_endo -72.43 81.43 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.475 2.117 . . . . 15.0 112.059 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' P' ' 23' C ASN . 18.9 m-85 -128.62 89.0 50.6 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.85 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 72.2 Cg_endo -65.16 89.61 0.2 Allowed 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 122.67 2.247 . . . . 15.0 111.032 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.508 ' O ' ' O ' ' P' ' 26' ' ' PRO . 55.9 m -35.52 166.36 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.968 0.793 . . . . 15.0 111.609 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.2 mt-10 -44.35 -45.8 9.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.483 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -30.33 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.583 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.807 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -67.15 -57.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.217 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.949 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.45 -22.99 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.148 0.499 . . . . 15.0 109.795 178.473 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.0 mt-10 -75.87 -60.67 2.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.337 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.7 pt-20 -59.59 -47.58 85.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.748 HD13 ' HE2' ' P' ' 49' ' ' PHE . 96.5 mt -53.54 -61.5 2.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.074 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.42 ' HA ' HG13 ' P' ' 40' ' ' ILE . . . -56.21 -29.43 60.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 15.0 112.105 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.525 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.1 -47.14 25.61 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.107 0.956 . . . . 15.0 109.273 179.328 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.447 ' C ' HD13 ' P' ' 15' ' ' ILE . 25.0 mtpp -67.47 -44.62 78.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.751 -1.568 . . . . 15.0 111.389 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.667 ' HA ' HD12 ' P' ' 15' ' ' ILE . 46.6 m -73.89 -54.09 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.383 -0.826 . . . . 15.0 112.471 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.43 15.83 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.43 -0.668 . . . . 15.0 111.43 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.907 HD11 HG22 ' P' ' 45' ' ' VAL . 12.2 pt -104.4 -166.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.6 t -116.81 137.55 52.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.63 -0.878 . . . . 15.0 108.63 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.949 HG13 ' HG3' ' P' ' 31' ' ' LYS . 32.2 t -21.46 -78.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.066 0.395 . . . . 15.0 112.066 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.499 ' N ' HG12 ' P' ' 42' ' ' VAL . 46.2 m -43.16 -29.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 15.0 112.396 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.6 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 8.9 tp-100 -67.06 -37.8 84.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.134 0.492 . . . . 15.0 110.003 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.907 HG22 HD11 ' P' ' 40' ' ' ILE . 74.9 t -60.04 -55.35 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.97 -22.16 24.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.234 0.54 . . . . 15.0 110.685 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 47' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.9 t-20 -74.05 -50.29 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.361 -0.836 . . . . 15.0 109.848 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.527 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 76.6 t90 -57.5 -63.31 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.209 -0.905 . . . . 15.0 112.213 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.748 ' HE2' HD13 ' P' ' 34' ' ' LEU . 47.5 m-85 -47.72 -56.7 6.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.233 -0.894 . . . . 15.0 112.303 -178.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -43.55 -47.65 7.22 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.557 -0.83 . . . . 15.0 112.442 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 51' ' ' ASN . . . . . 0.494 ' HA ' HG12 ' P' ' 54' ' ' ILE . 48.2 t30 -73.69 -30.59 62.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 15.0 111.053 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.431 ' HG3' ' CE1' ' P' ' 20' ' ' PHE . 21.4 tptm -60.26 -43.78 95.87 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.334 -0.394 . . . . 15.0 112.046 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.89 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.5 ptm180 -65.38 -40.01 92.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.094 -0.706 . . . . 15.0 109.094 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.895 HG22 ' HE3' ' P' ' 58' ' ' LYS . 4.5 mm -53.42 -54.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.322 -0.621 . . . . 15.0 109.322 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.477 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 67.2 mtp180 -51.55 -31.64 25.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.794 0.33 . . . . 15.0 111.257 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.89 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.4 OUTLIER -50.6 -63.46 1.12 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.637 0.732 . . . . 15.0 110.475 179.002 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.567 ' HA ' HD11 ' P' ' 60' ' ' ILE . 70.9 mmtt -47.54 -22.21 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.59 -1.186 . . . . 15.0 113.488 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.895 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.6 OUTLIER -77.78 -40.12 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.005 0.431 . . . . 15.0 110.55 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' P' ' 60' ' ' ILE . 59.2 m-20 -133.89 41.24 3.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.941 0.719 . . . . 15.0 112.941 -178.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.613 HG23 ' HE1' ' P' ' 56' ' ' TYR . 41.3 mm -13.8 -72.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 114.834 1.42 . . . . 15.0 114.834 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.9 45.06 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 114.543 0.577 . . . . 15.0 114.543 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.0 tttm -70.57 -41.07 72.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.26 0.552 . . . . 15.0 110.193 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.804 ' CD2' ' HA ' ' P' ' 56' ' ' TYR . 88.9 m-85 -77.35 -32.62 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.874 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 64' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 85.9 mt-30 -53.9 -63.77 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.871 0.367 . . . . 15.0 110.327 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.401 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -51.42 -44.25 62.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.769 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.85 -50.94 72.1 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.81 -42.98 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.908 -1.042 . . . . 15.0 110.536 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.36 -35.91 68.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.064 0.459 . . . . 15.0 110.387 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.401 HG13 ' O ' ' P' ' 65' ' ' GLU . 84.6 mt -63.22 -61.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.944 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 70' ' ' TYR . . . . . 0.492 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.1 m-85 . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.888 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 112.29 0.478 . . . . 15.0 112.29 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -56.14 -95.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.785 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.569 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.2 m-85 -67.79 107.46 2.61 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 118.696 0.68 . . . . 15.0 111.867 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.9 t-20 -63.28 167.35 5.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.619 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.493 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 64.0 mttp -56.61 -23.5 41.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.093 0.473 . . . . 15.0 110.594 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -70.82 -48.11 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.256 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.609 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.91 -36.86 82.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.417 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 75.2 p -61.31 -54.27 46.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 15.0 111.844 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 18.6 pt-20 -57.0 -44.17 82.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.313 0.578 . . . . 15.0 110.64 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.462 HG23 ' HE3' ' P' ' 37' ' ' LYS . 52.8 mt -59.88 -61.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.104 -0.953 . . . . 15.0 111.882 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.66 HD22 ' HE1' ' P' ' 49' ' ' PHE . 55.2 mt -58.04 -45.68 86.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.458 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.487 ' HB3' ' HE1' ' P' ' 21' ' ' TYR . 42.9 m-20 -48.05 -64.73 0.71 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.77 0.319 . . . . 15.0 111.244 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' P' ' 70' ' ' TYR . 51.8 mt-10 -39.82 -42.1 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.826 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.681 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.9 t80 -79.74 -35.65 38.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.525 ' CZ ' ' CD2' ' P' ' 23' A LEU . 19.3 t80 -53.08 -51.7 60.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.621 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.491 ' CE1' ' CD2' ' P' ' 70' ' ' TYR . 42.1 m-85 -63.97 10.64 0.05 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.315 0.487 . . . . 15.0 112.315 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.481 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.1 t -109.65 -22.96 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 15.0 110.064 178.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' P' ' 23' C ASN . 2.7 m-70 -126.72 34.8 4.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.071 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 23' A LEU . . . . . 0.726 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.88 -61.74 1.61 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.059 0.392 . . . . 15.0 112.059 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 53.7 m -58.37 -13.45 5.36 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.847 0.314 . . . . 15.0 111.847 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 23' C ASN . . . . . 0.588 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 5.4 p30 -142.94 71.71 18.87 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.499 -0.926 . . . . 15.0 108.499 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.726 ' HD3' ' O ' ' P' ' 23' A LEU . 37.7 Cg_endo -70.43 67.26 2.14 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.89 2.393 . . . . 15.0 113.746 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.588 ' CZ ' ' HB2' ' P' ' 23' C ASN . 8.1 p90 -153.34 120.56 2.98 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.959 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.612 ' HG3' HG12 ' P' ' 45' ' ' VAL . 17.9 Cg_endo -54.96 -152.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.271 2.647 . . . . 15.0 112.492 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 27' ' ' SER . . . . . 1.011 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 53.6 m -147.27 169.45 19.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.999 -1.852 . . . . 15.0 105.999 178.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -49.61 -52.47 30.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 118.965 0.802 . . . . 15.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 29' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 16.7 pt-20 -70.39 -30.75 67.72 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.737 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 1.011 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -66.39 -56.7 9.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.708 -0.224 . . . . 15.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.768 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.94 -24.48 62.54 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 120.113 -0.635 . . . . 15.0 110.233 178.751 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.528 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.5 mt-10 -76.03 -60.33 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 15.0 109.939 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.15 -48.03 81.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 15.0 110.258 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.627 HD11 ' CD2' ' P' ' 19' ' ' TYR . 96.0 mt -56.02 -60.47 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.186 0.517 . . . . 15.0 110.569 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.11 -28.2 38.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.487 -0.779 . . . . 15.0 112.424 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.64 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.8 OUTLIER -76.24 -45.6 32.13 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.136 0.97 . . . . 15.0 109.142 179.325 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.462 ' HE3' HG23 ' P' ' 15' ' ' ILE . 26.5 mtpp -67.42 -48.1 68.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.593 -1.639 . . . . 15.0 111.832 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.609 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 42.7 m -74.01 -52.63 12.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.762 -0.654 . . . . 15.0 112.261 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.12 20.07 5.72 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.152 -0.779 . . . . 15.0 111.152 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.725 HD11 HG22 ' P' ' 45' ' ' VAL . 9.4 pt -105.15 -165.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.487 -0.561 . . . . 15.0 109.487 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.526 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.3 t -120.11 139.51 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.55 -0.908 . . . . 15.0 108.55 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.768 HG13 ' HG3' ' P' ' 31' ' ' LYS . 9.0 t -23.82 -75.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.523 ' N ' HG12 ' P' ' 42' ' ' VAL . 49.9 m -44.06 -30.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.542 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 37.7 mm-40 -66.83 -40.86 88.12 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.128 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.725 HG22 HD11 ' P' ' 40' ' ' ILE . 87.7 t -54.42 -54.21 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.811 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.09 -27.63 46.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.295 0.569 . . . . 15.0 110.391 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 47' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.6 t-20 -73.8 -51.33 16.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.232 -0.894 . . . . 15.0 109.26 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 64.0 t90 -57.83 -58.15 9.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.925 -1.034 . . . . 15.0 111.717 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.66 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.8 m-85 -47.89 -55.35 10.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.493 -0.776 . . . . 15.0 111.993 -178.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -51.42 -38.12 41.44 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.474 -0.87 . . . . 15.0 112.846 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.31 -36.09 78.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.655 0.264 . . . . 15.0 111.701 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.2 mmmt -60.13 -41.28 92.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.791 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 5.2 ptm180 -61.36 -42.36 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.423 0.63 . . . . 15.0 109.436 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.876 HG22 ' HE3' ' P' ' 58' ' ' LYS . 9.1 mm -54.16 -62.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.064 -177.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.557 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 42.7 mtt85 -53.41 -29.14 33.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.798 0.296 . . . . 15.0 111.798 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.791 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -52.24 -62.75 1.44 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.682 0.753 . . . . 15.0 109.82 178.202 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.592 ' HA ' HD11 ' P' ' 60' ' ' ILE . 72.5 mmtt -48.04 -19.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.516 -1.22 . . . . 15.0 114.04 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.876 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -77.26 -39.0 49.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.041 0.448 . . . . 15.0 110.616 -179.312 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' P' ' 62' ' ' LYS . 57.2 m-20 -135.82 41.66 2.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.724 0.638 . . . . 15.0 112.724 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' P' ' 57' ' ' LYS . 43.3 mm -13.91 -71.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 114.769 1.396 . . . . 15.0 114.769 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.29 43.25 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 116.063 -0.517 . . . . 15.0 114.192 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' P' ' 62' ' ' LYS . 5.9 tmtm? -70.84 -40.93 72.11 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.378 -0.601 . . . . 15.0 109.378 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.708 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 94.3 m-85 -73.81 -35.37 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.847 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 64' ' ' GLN . . . . . 0.538 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.9 mt-30 -50.94 -61.54 2.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 15.0 109.931 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.415 ' O ' HG13 ' P' ' 69' ' ' ILE . 89.1 tt0 -50.03 -44.6 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.597 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.418 ' HB3' ' CE2' ' P' ' 70' ' ' TYR . 49.8 mt-10 -56.55 -50.57 71.49 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.86 -45.88 7.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.462 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -70.51 -30.58 67.39 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.941 0.4 . . . . 15.0 110.751 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.415 HG13 ' O ' ' P' ' 65' ' ' GLU . 93.7 mt -70.85 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.038 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 70' ' ' TYR . . . . . 0.491 ' CD2' ' CE1' ' P' ' 21' ' ' TYR . 56.8 m-85 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.645 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 6' ' ' ARG . . . . . 0.403 ' HB3' HH11 ' P' ' 6' ' ' ARG . 2.0 ptm85 . . . . . 0 N--CA 1.463 0.199 0 N-CA-C 108.142 -1.059 . . . . 15.0 108.142 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.533 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 8.7 t30 -61.46 -92.58 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.548 -1.206 . . . . 15.0 111.472 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.875 ' CD1' HG21 ' P' ' 40' ' ' ILE . 34.5 m-85 -60.25 109.43 0.98 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.263 0.483 . . . . 15.0 110.73 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.77 171.08 9.75 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 10.0 mtmp? -53.99 -24.65 17.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.702 0.287 . . . . 15.0 111.604 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 12.4 tp-100 -72.35 -47.96 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.618 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.1 -44.11 97.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.566 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.475 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 72.2 p -54.24 -56.97 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.752 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.7 pt-20 -53.49 -41.63 66.44 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.411 0.624 . . . . 15.0 110.924 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' P' ' 38' ' ' SER . 69.6 mt -67.14 -56.39 13.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.304 -0.862 . . . . 15.0 112.657 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.598 HD22 ' HE1' ' P' ' 49' ' ' PHE . 79.1 mt -60.2 -48.68 80.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.552 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.3 p30 -60.32 -53.01 62.69 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.152 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.552 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 65.1 mm-40 -44.06 -39.31 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 15.0 110.909 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.514 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -80.05 -39.1 30.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.76 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.611 ' CE1' HD21 ' P' ' 23' A LEU . 1.2 t80 -53.33 -51.0 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.808 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 69.6 m-85 -60.83 8.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.41 0.522 . . . . 15.0 112.41 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.507 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.9 t -105.42 -22.27 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 15.0 110.43 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' P' ' 23' C ASN . 4.1 m-70 -129.4 35.29 4.26 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.283 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 23' A LEU . . . . . 0.679 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.5 mt -39.97 -63.05 0.64 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.074 0.398 . . . . 15.0 112.074 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 80.5 p -58.39 -9.41 1.56 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 23' C ASN . . . . . 0.46 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 18.1 p30 -160.51 65.74 2.36 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.943 0.402 . . . . 15.0 109.963 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' P' ' 23' A LEU . 8.1 Cg_exo -72.98 67.76 4.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.0 2.467 . . . . 15.0 112.244 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.638 ' O ' ' O ' ' P' ' 26' ' ' PRO . 11.8 m-85 -124.97 103.04 30.83 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.356 -0.838 . . . . 15.0 109.545 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.638 ' O ' ' O ' ' P' ' 25' ' ' TYR . 6.7 Cg_endo -47.73 -151.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.556 2.17 . . . . 15.0 111.786 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 27' ' ' SER . . . . . 1.012 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 54.1 m -158.52 169.85 23.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 106.753 -1.573 . . . . 15.0 106.753 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 66.7 mm-40 -47.77 -51.64 21.6 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.311 -0.556 . . . . 15.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -70.14 -33.8 72.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 15.0 110.581 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 1.012 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -64.0 -56.96 11.27 Favored 'General case' 0 CA--C 1.523 -0.077 0 C-N-CA 121.179 -0.208 . . . . 15.0 110.84 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.649 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.12 -24.26 58.07 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.164 -0.614 . . . . 15.0 109.933 178.62 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' P' ' 28' ' ' GLU . 40.8 mt-10 -75.76 -59.95 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.669 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.5 pt-20 -58.84 -49.68 76.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.13 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.753 HD12 HG11 ' P' ' 45' ' ' VAL . 97.0 mt -55.31 -60.18 3.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.845 0.355 . . . . 15.0 110.43 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.89 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.04 -46.92 26.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 122.019 0.914 . . . . 15.0 109.256 179.322 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.481 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.7 mtpp -67.82 -44.46 77.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 113.839 -1.528 . . . . 15.0 111.392 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.618 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 43.2 m -73.94 -52.38 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.277 -0.874 . . . . 15.0 112.289 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.65 15.56 7.41 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.256 -0.738 . . . . 15.0 111.256 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.892 HD11 HG22 ' P' ' 45' ' ' VAL . 18.4 pt -105.77 -164.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.519 ' O ' ' N ' ' P' ' 44' ' ' GLN . 8.6 t -118.39 141.26 48.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.649 HG13 ' CB ' ' P' ' 31' ' ' LYS . 5.0 t -25.23 -76.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.734 0.302 . . . . 15.0 111.608 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.582 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.0 m -42.77 -29.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.715 0.635 . . . . 15.0 112.715 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.586 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 24.2 tp60 -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.303 0.573 . . . . 15.0 109.834 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.892 HG22 HD11 ' P' ' 40' ' ' ILE . 58.8 t -64.51 -58.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.92 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -52.55 -25.08 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.361 0.6 . . . . 15.0 110.142 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 47' ' ' ASN . . . . . 0.423 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 50.4 t-20 -73.73 -50.23 21.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.053 177.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.509 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 71.5 t90 -58.46 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.188 -0.915 . . . . 15.0 111.901 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.598 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.8 m-85 -48.0 -60.23 2.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.715 -0.675 . . . . 15.0 112.684 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.539 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -44.57 -46.74 8.86 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.71 -0.757 . . . . 15.0 112.926 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 51' ' ' ASN . . . . . 0.413 ' HA ' HG12 ' P' ' 54' ' ' ILE . 48.8 t-20 -73.38 -30.5 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.751 0.278 . . . . 15.0 111.751 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 21.7 tptm -59.98 -39.71 86.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.896 0.332 . . . . 15.0 111.896 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.669 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.9 ptm85 -70.04 -39.43 75.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.291 0.567 . . . . 15.0 109.53 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.927 HG22 ' HE2' ' P' ' 58' ' ' LYS . 14.7 mm -54.11 -53.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.13 -0.693 . . . . 15.0 109.13 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 38.2 mmt-85 -55.63 -33.73 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.131 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.718 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.1 t80 -52.59 -59.57 4.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.156 0.503 . . . . 15.0 110.44 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.621 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 44.7 mttt -52.21 -19.79 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.995 1.109 . . . . 15.0 113.995 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.927 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.1 mptp? -70.88 -38.81 73.08 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' P' ' 62' ' ' LYS . 17.3 m120 -138.01 41.47 2.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.453 0.909 . . . . 15.0 113.453 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.621 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.0 mm -13.95 -70.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.402 1.26 . . . . 15.0 114.402 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.74 -25.11 35.26 Favored Glycine 0 C--N 1.335 0.521 0 CA-C-N 115.88 -0.6 . . . . 15.0 114.118 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 39.9 ttmt -72.93 -39.46 66.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.121 0.486 . . . . 15.0 110.089 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.718 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.0 m-85 -74.88 -31.7 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -56.01 -59.73 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.412 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.8 tp10 -52.92 -49.15 66.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.507 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 65.7 mm-40 -55.46 -54.52 42.79 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.07 -41.68 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -69.42 -37.36 77.42 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 15.0 110.004 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' P' ' 66' ' ' GLU . 76.5 mt -66.73 -43.3 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 15.0 110.202 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 70' ' ' TYR . . . . . 0.403 ' HB3' ' OE2' ' P' ' 18' ' ' GLU . 14.2 m-85 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.88 -0.6 . . . . 15.0 111.424 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 112.204 0.446 . . . . 15.0 112.204 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' P' ' 8' ' ' PHE . 4.6 t-20 -55.71 -94.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.393 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.625 ' CD2' HG21 ' P' ' 40' ' ' ILE . 5.0 m-85 -69.21 108.51 3.67 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.672 0.669 . . . . 15.0 111.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -67.78 174.26 3.75 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.43 ' HZ1' ' HB2' ' P' ' 10' ' ' LYS . 9.9 mtmp? -58.1 -17.7 19.94 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.553 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 40.1 tt0 -74.1 -48.09 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 15.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.667 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.67 -43.04 94.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.888 -0.597 . . . . 15.0 111.802 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.482 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 54.3 p -55.66 -56.25 22.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.014 -0.539 . . . . 15.0 111.737 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.3 pt-20 -54.17 -38.55 65.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.213 0.53 . . . . 15.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.414 HG13 ' HG3' ' P' ' 14' ' ' GLU . 49.4 mt -73.27 -54.56 15.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.837 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.661 HD22 ' HE1' ' P' ' 49' ' ' PHE . 73.4 mt -62.26 -43.92 97.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -178.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 22.5 p30 -60.43 -53.0 62.81 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.244 -0.583 . . . . 15.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 96.8 mt-10 -46.04 -45.33 15.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 15.0 111.061 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.696 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.9 t80 -71.35 -41.08 70.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 15.0 110.038 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.809 ' CE1' HD21 ' P' ' 23' A LEU . 0.5 OUTLIER -52.49 -49.47 64.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.992 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.4 m-85 -61.05 14.19 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.107 0.78 . . . . 15.0 113.107 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.494 ' H ' ' C ' ' P' ' 20' ' ' PHE . 80.9 p -115.96 -20.87 9.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.893 0.315 . . . . 15.0 110.903 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' P' ' 24' ' ' PRO . 3.6 m-70 -129.47 34.56 4.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.624 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 23' A LEU . . . . . 0.809 HD21 ' CE1' ' P' ' 20' ' ' PHE . 1.3 mt -39.77 -58.09 1.42 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.893 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 52.3 m -64.61 -12.28 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.582 0.586 . . . . 15.0 112.582 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 23' C ASN . . . . . 0.512 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 45.2 t30 -165.13 60.94 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.702 0.286 . . . . 15.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.581 ' C ' ' HD1' ' P' ' 25' ' ' TYR . 7.4 Cg_exo -73.36 83.72 1.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.995 2.463 . . . . 15.0 111.959 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.581 ' HD1' ' C ' ' P' ' 24' ' ' PRO . 2.5 m-30 -121.46 92.38 48.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.714 -0.847 . . . . 15.0 108.714 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.838 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.2 Cg_endo -63.73 91.12 0.16 Allowed 'Trans proline' 0 CA--C 1.509 -0.736 0 C-N-CA 122.837 2.358 . . . . 15.0 111.217 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.426 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 46.7 t -41.22 168.74 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.229 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -43.91 -46.66 8.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.678 -0.692 . . . . 15.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.65 -35.55 75.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.386 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.747 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -62.89 -58.28 7.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.835 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.868 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.42 -22.83 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.972 0.415 . . . . 15.0 110.367 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.515 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 37.7 mt-10 -75.82 -59.58 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.7 pt-20 -58.64 -49.29 78.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.766 -0.457 . . . . 15.0 109.766 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.689 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -52.98 -60.91 2.69 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 121.117 0.484 . . . . 15.0 109.929 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.91 -30.92 59.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.606 -0.725 . . . . 15.0 112.453 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.87 -45.38 35.88 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 122.083 0.945 . . . . 15.0 109.298 179.304 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -67.61 -46.99 70.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 113.77 -1.559 . . . . 15.0 111.712 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.667 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 61.1 m -74.13 -53.03 10.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 15.0 112.627 -178.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.14 20.67 5.13 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.202 -0.759 . . . . 15.0 111.202 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.703 HD11 HG22 ' P' ' 45' ' ' VAL . 9.7 pt -107.01 -165.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.521 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.2 t -119.85 140.02 51.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.505 -0.924 . . . . 15.0 108.505 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.868 HG13 ' HG3' ' P' ' 31' ' ' LYS . 10.0 t -24.36 -75.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.133 0.492 . . . . 15.0 112.202 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.558 ' N ' HG12 ' P' ' 42' ' ' VAL . 49.0 m -43.07 -30.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.317 0.858 . . . . 15.0 113.317 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.563 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 38.0 mm-40 -66.73 -41.0 88.6 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.4 -0.52 . . . . 15.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.774 HG12 ' HG3' ' P' ' 26' ' ' PRO . 79.3 t -53.73 -54.43 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.637 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.33 -28.76 55.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.228 0.537 . . . . 15.0 110.399 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 47' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 52.1 t-20 -73.79 -51.93 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.35 -0.841 . . . . 15.0 109.622 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.612 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 54.8 t90 -56.97 -58.02 9.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.343 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.661 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.6 m-85 -47.92 -54.69 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.165 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -50.51 -38.7 35.61 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.55 -0.833 . . . . 15.0 112.909 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 51' ' ' ASN . . . . . 0.457 ' HA ' HG12 ' P' ' 54' ' ' ILE . 32.7 m120 -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.811 0.3 . . . . 15.0 111.811 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.579 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.3 mmmm -53.01 -40.06 63.57 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.904 0.335 . . . . 15.0 111.904 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.856 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.5 ptp180 -66.5 -38.96 88.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 15.0 109.167 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.837 HG22 ' HE3' ' P' ' 58' ' ' LYS . 13.8 mm -55.5 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.474 -0.784 . . . . 15.0 109.049 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 27.2 mmm180 -49.64 -32.48 13.17 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.088 0.47 . . . . 15.0 110.603 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.856 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 68.9 t80 -53.73 -62.73 1.46 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.365 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.777 ' HA ' HD11 ' P' ' 60' ' ' ILE . 72.4 mmtt -45.67 -21.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.402 0.89 . . . . 15.0 113.402 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.837 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.3 OUTLIER -87.31 -36.1 18.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 15.0 110.865 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.654 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.1 p30 -134.93 30.2 3.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.846 1.054 . . . . 15.0 113.846 -176.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.822 HD12 ' CE2' ' P' ' 56' ' ' TYR . 38.3 mm -13.37 -68.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 114.818 1.414 . . . . 15.0 114.818 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.31 -21.87 9.36 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 114.365 0.506 . . . . 15.0 114.365 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.654 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 1.5 tmtp? -69.59 -39.12 77.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.698 0.285 . . . . 15.0 110.719 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.71 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.6 m-85 -77.52 -24.0 50.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -62.48 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.722 -0.391 . . . . 15.0 110.281 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.459 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.0 tt0 -51.28 -48.22 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 15.0 110.252 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 64.1 mm-40 -59.35 -51.86 68.12 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.408 -0.59 . . . . 15.0 109.408 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' P' ' 63' ' ' PHE . . . -43.79 -42.43 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.131 -0.941 . . . . 15.0 110.135 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.46 -38.43 77.75 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 121.111 0.481 . . . . 15.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.459 HG13 ' O ' ' P' ' 65' ' ' GLU . 78.2 mt -63.44 -46.67 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.788 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.572 179.82 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 108.211 -1.033 . . . . 15.0 108.211 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 7' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 9.7 t30 -64.29 -93.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.2 -1.364 . . . . 15.0 112.616 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.98 ' CD1' HG21 ' P' ' 40' ' ' ILE . 49.2 m-85 -61.04 109.04 0.97 Allowed 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 121.995 -0.441 . . . . 15.0 111.139 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -69.0 175.46 3.71 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.329 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 10' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -59.47 -15.11 15.45 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.201 0.445 . . . . 15.0 112.201 -179.06 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.574 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 33.3 tp60 -78.63 -47.36 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.252 0.549 . . . . 15.0 110.073 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.631 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.12 -42.77 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.566 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.0 p -54.98 -56.08 23.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.655 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.0 pt-20 -54.46 -38.83 66.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.22 0.534 . . . . 15.0 110.992 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' P' ' 38' ' ' SER . 67.2 mt -71.61 -54.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 15.0 112.534 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.65 HD22 ' HE1' ' P' ' 49' ' ' PHE . 76.6 mt -61.36 -46.4 90.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.237 0.458 . . . . 15.0 112.237 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -61.28 -52.4 64.89 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.465 -0.494 . . . . 15.0 111.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.2 mt-10 -47.95 -39.16 18.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 15.0 111.032 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.453 ' HD2' HD11 ' P' ' 34' ' ' LEU . 14.9 t80 -79.57 -38.43 34.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.595 ' CZ ' ' CD2' ' P' ' 23' A LEU . 21.4 t80 -51.18 -49.53 60.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.491 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 61.5 m-85 -61.48 9.12 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.3 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.505 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.8 t -111.93 -24.74 9.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 15.0 110.512 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' P' ' 24' ' ' PRO . 2.7 m-70 -123.06 35.53 4.85 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.814 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 23' A LEU . . . . . 0.595 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.3 mt -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.825 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.7 t -59.69 -18.15 40.04 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.124 0.416 . . . . 15.0 112.124 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 23' C ASN . . . . . 0.498 ' O ' ' ND2' ' P' ' 23' C ASN . 0.5 OUTLIER -155.59 66.74 4.73 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 15.0 110.881 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' P' ' 23' A LEU . 17.4 Cg_exo -68.18 87.87 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.887 2.391 . . . . 15.0 112.089 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' P' ' 23' C ASN . 15.8 m-85 -132.99 86.26 43.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.795 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.795 ' C ' ' HB3' ' P' ' 30' ' ' ALA . 74.5 Cg_endo -64.05 86.14 0.15 Allowed 'Trans proline' 0 CA--C 1.51 -0.684 0 C-N-CA 122.388 2.059 . . . . 15.0 110.35 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.471 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 44.1 t -39.88 168.91 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.464 -0.789 . . . . 15.0 111.368 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -44.14 -46.89 8.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.302 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -70.43 -32.85 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.721 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.795 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -67.26 -58.24 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 15.0 110.545 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.869 ' HG3' HG13 ' P' ' 42' ' ' VAL . 3.2 ptmt -59.39 -23.97 63.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.043 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.513 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.4 mt-10 -75.51 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.8 pt-20 -58.17 -48.85 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.188 -0.671 . . . . 15.0 109.188 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.695 HD12 HG11 ' P' ' 45' ' ' VAL . 96.0 mt -53.07 -61.75 2.1 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 15.0 109.98 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.444 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.75 -31.6 49.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 15.0 112.078 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.96 -44.57 39.23 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.967 0.889 . . . . 15.0 109.254 179.483 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.427 ' C ' HD13 ' P' ' 15' ' ' ILE . 25.7 mtpp -68.03 -46.61 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 113.89 -1.505 . . . . 15.0 111.449 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.631 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.4 m -73.65 -52.47 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.375 -0.83 . . . . 15.0 112.222 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.75 21.93 5.21 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.933 -0.867 . . . . 15.0 110.933 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.98 HG21 ' CD1' ' P' ' 8' ' ' PHE . 14.6 pt -109.76 -162.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.654 HG22 ' OE1' ' P' ' 44' ' ' GLN . 11.1 t -120.92 143.37 49.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.556 -0.905 . . . . 15.0 108.556 177.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.869 HG13 ' HG3' ' P' ' 31' ' ' LYS . 24.0 t -26.0 -75.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.454 0.471 . . . . 15.0 111.643 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.448 ' N ' HG12 ' P' ' 42' ' ' VAL . 53.0 m -42.6 -31.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.415 0.894 . . . . 15.0 113.415 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.654 ' OE1' HG22 ' P' ' 41' ' ' THR . 85.8 mt-30 -67.04 -35.91 80.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.422 -0.511 . . . . 15.0 110.238 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.794 HG22 HD11 ' P' ' 40' ' ' ILE . 59.1 t -61.93 -58.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.458 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -54.37 -26.56 30.85 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.337 0.589 . . . . 15.0 110.028 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 47' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 48.3 t-20 -73.85 -51.03 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.207 -0.906 . . . . 15.0 109.151 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.48 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 70.9 t90 -57.29 -59.92 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.849 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.65 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.7 m-85 -48.44 -55.66 10.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.536 -0.756 . . . . 15.0 110.618 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.515 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -33.6 -65.65 0.29 Allowed Glycine 0 CA--C 1.519 0.322 0 CA-C-N 116.09 -0.504 . . . . 15.0 113.229 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 51' ' ' ASN . . . . . 0.402 ' HA ' HG12 ' P' ' 54' ' ' ILE . 5.7 m120 -71.81 -18.48 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.882 0.327 . . . . 15.0 111.882 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 54.6 tptt -58.76 -41.91 87.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.635 0.255 . . . . 15.0 111.191 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.595 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.3 ptt-85 -76.1 -40.42 53.04 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.998 -0.742 . . . . 15.0 108.998 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.911 HG22 ' HE3' ' P' ' 58' ' ' LYS . 17.9 mm -54.72 -53.28 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 N-CA-C 107.323 -1.362 . . . . 15.0 107.323 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.431 ' CA ' ' HD3' ' P' ' 58' ' ' LYS . 0.0 OUTLIER -51.6 -44.13 62.73 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.514 -0.766 . . . . 15.0 109.745 177.651 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.608 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.2 t80 -48.91 -57.26 6.72 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.992 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 77.8 mttt -52.29 -18.0 1.38 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.198 1.185 . . . . 15.0 114.198 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.911 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -69.12 -36.89 78.0 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.888 -0.782 . . . . 15.0 108.888 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' P' ' 62' ' ' LYS . 38.0 m-80 -140.54 46.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.397 -0.819 . . . . 15.0 113.176 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.583 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 48.4 mm -13.79 -71.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 115.079 1.511 . . . . 15.0 115.079 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.76 -26.19 57.18 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 116.048 -0.524 . . . . 15.0 114.236 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' P' ' 59' ' ' ASN . 1.2 tmtp? -66.14 -39.76 90.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.951 0.405 . . . . 15.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.608 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 31.5 m-85 -79.66 -21.46 44.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.293 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 64' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 36.3 mt-30 -60.81 -58.8 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.431 ' O ' HG13 ' P' ' 69' ' ' ILE . 40.9 tp10 -52.42 -49.01 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 15.0 109.811 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' P' ' 69' ' ' ILE . 65.5 mm-40 -57.4 -51.91 67.51 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.049 -0.723 . . . . 15.0 109.049 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.34 -41.79 4.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.888 -1.051 . . . . 15.0 110.491 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -72.51 -35.63 68.15 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.943 0.402 . . . . 15.0 110.412 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.431 HG13 ' O ' ' P' ' 65' ' ' GLU . 75.7 mt -64.48 -55.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.565 . . . . 15.0 110.975 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 70' ' ' TYR . . . . . 0.44 ' CG ' ' CE2' ' P' ' 21' ' ' TYR . 32.6 m-85 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 . . . . . 0 N--CA 1.467 0.396 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -56.6 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.525 -1.216 . . . . 15.0 111.986 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 8' ' ' PHE . . . . . 0.734 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.4 OUTLIER -69.75 107.68 3.59 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.867 0.365 . . . . 15.0 111.982 -178.509 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -71.12 -178.73 2.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.025 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -59.5 -16.01 21.61 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.363 0.505 . . . . 15.0 112.363 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 11' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 32.7 tp60 -78.56 -47.7 16.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.263 0.554 . . . . 15.0 110.403 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 12' ' ' ALA . . . . . 0.636 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.9 -39.7 93.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.676 -0.693 . . . . 15.0 111.73 -179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 13' ' ' THR . . . . . 0.486 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -59.11 -54.39 47.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.11 -0.495 . . . . 15.0 111.67 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 14' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.2 pt-20 -54.7 -37.63 66.05 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.25 0.547 . . . . 15.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 15' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' P' ' 38' ' ' SER . 68.2 mt -72.92 -55.46 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.948 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 16' ' ' LEU . . . . . 0.625 HD22 ' HE1' ' P' ' 49' ' ' PHE . 71.5 mt -61.63 -43.08 99.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.849 0.685 . . . . 15.0 112.849 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 17' ' ' ASN . . . . . 0.502 HD21 ' HA ' ' P' ' 14' ' ' GLU . 23.2 p30 -60.83 -52.25 65.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.259 -0.577 . . . . 15.0 111.029 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.501 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 51.6 mt-10 -47.11 -36.29 8.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.508 -0.315 . . . . 15.0 111.413 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 19' ' ' TYR . . . . . 0.667 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -80.75 -44.53 18.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 15.0 110.796 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.568 ' C ' ' H ' ' P' ' 22' ' ' SER . 3.4 t80 -49.41 -45.67 46.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.238 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 21' ' ' TYR . . . . . 0.521 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.4 m-85 -59.67 12.32 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.534 0.568 . . . . 15.0 112.534 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 22' ' ' SER . . . . . 0.568 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.1 m -116.74 -21.05 9.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.34 . . . . 15.0 110.552 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 23' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' P' ' 24' ' ' PRO . 2.6 m-70 -122.88 34.39 5.15 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.168 -0.469 . . . . 15.0 110.703 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 23' A LEU . . . . . 0.546 ' CD2' ' CE1' ' P' ' 20' ' ' PHE . 2.1 mt -45.19 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.883 0.697 . . . . 15.0 112.883 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.5 t -74.69 14.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.525 0.565 . . . . 15.0 112.525 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 23' C ASN . . . . . 0.609 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 0.5 OUTLIER -173.5 56.07 0.19 Allowed Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' P' P ' 24' ' ' PRO . . . . . 0.609 ' HD3' ' N ' ' P' ' 23' C ASN . 7.0 Cg_exo -74.74 100.37 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.871 2.38 . . . . 15.0 115.094 -177.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 25' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.6 OUTLIER -154.75 98.89 2.43 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.761 -1.109 . . . . 15.0 109.509 176.131 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' P' P ' 26' ' ' PRO . . . . . 0.82 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 78.2 Cg_endo -65.88 105.08 0.76 Allowed 'Trans proline' 0 CA--C 1.514 -0.512 0 C-N-CA 123.109 2.54 . . . . 15.0 112.135 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 27' ' ' SER . . . . . 0.457 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 56.1 m -42.17 162.51 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.548 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 28' ' ' GLU . . . . . 0.68 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -43.36 -44.42 5.61 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.114 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.99 -32.27 69.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.927 0.394 . . . . 15.0 110.344 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.667 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -62.51 -57.14 12.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.99 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 31' ' ' LYS . . . . . 0.82 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -58.36 -23.13 55.93 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 120.52 -0.472 . . . . 15.0 110.313 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' P' P ' 32' ' ' GLU . . . . . 0.508 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 44.4 mt-10 -75.56 -59.18 2.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.242 -0.651 . . . . 15.0 109.242 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.5 pt-20 -58.48 -50.2 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.933 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.784 HD12 HG11 ' P' ' 45' ' ' VAL . 96.5 mt -53.31 -62.17 1.83 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.98 0.419 . . . . 15.0 110.284 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 35' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.66 -31.78 38.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 15.0 112.029 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 36' ' ' LYS . . . . . 0.512 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.01 -43.89 42.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.946 0.879 . . . . 15.0 109.408 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' P' P ' 37' ' ' LYS . . . . . 0.419 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.7 mtpp -68.41 -48.38 64.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.039 -1.437 . . . . 15.0 111.619 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 38' ' ' SER . . . . . 0.636 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.1 m -73.59 -52.17 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.44 -0.8 . . . . 15.0 112.148 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.19 23.37 4.89 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.134 -0.786 . . . . 15.0 111.134 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 40' ' ' ILE . . . . . 0.78 HD11 HG22 ' P' ' 45' ' ' VAL . 17.2 pt -109.26 -162.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 41' ' ' THR . . . . . 0.539 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -120.47 142.01 49.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.326 -0.99 . . . . 15.0 108.326 177.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 42' ' ' VAL . . . . . 0.813 HG13 ' HG3' ' P' ' 31' ' ' LYS . 7.2 t -25.49 -75.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.842 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 43' ' ' SER . . . . . 0.552 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.3 m -42.43 -31.26 0.4 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.372 0.879 . . . . 15.0 113.372 -178.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 44' ' ' GLN . . . . . 0.539 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 40.3 mm-40 -66.51 -36.18 82.08 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.457 -0.497 . . . . 15.0 110.288 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 45' ' ' VAL . . . . . 0.784 HG11 HD12 ' P' ' 34' ' ' LEU . 59.7 t -60.77 -57.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.574 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -54.7 -28.87 50.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.297 0.57 . . . . 15.0 110.277 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.66 -51.74 15.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.11 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 48' ' ' TRP . . . . . 0.534 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 57.4 t90 -56.99 -58.8 6.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.956 -1.02 . . . . 15.0 110.603 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 49' ' ' PHE . . . . . 0.625 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.7 m-85 -48.4 -54.96 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.588 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 50' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -33.41 -62.43 0.39 Allowed Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.976 -0.557 . . . . 15.0 113.952 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 51' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' P' ' 48' ' ' TRP . 9.3 p-10 -67.73 -17.17 64.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.83 0.678 . . . . 15.0 112.83 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 52' ' ' LYS . . . . . 0.514 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.6 mmmt -60.16 -51.23 70.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.217 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 53' ' ' ARG . . . . . 0.738 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.5 ptt-85 -65.74 -41.87 91.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 54' ' ' ILE . . . . . 0.829 HG22 ' HE2' ' P' ' 58' ' ' LYS . 27.1 mm -54.62 -55.86 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.205 -0.665 . . . . 15.0 109.205 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 55' ' ' ARG . . . . . 0.455 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 14.0 mmt85 -55.63 -33.15 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.682 0.277 . . . . 15.0 110.963 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 56' ' ' TYR . . . . . 0.738 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 5.2 t80 -49.69 -57.78 6.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.322 0.582 . . . . 15.0 110.149 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 57' ' ' LYS . . . . . 0.607 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 34.2 mttt -52.67 -21.58 4.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 58' ' ' LYS . . . . . 0.829 ' HE2' HG22 ' P' ' 54' ' ' ILE . 2.2 mptp? -72.31 -39.82 67.94 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.384 -0.599 . . . . 15.0 109.384 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.6 m-20 -136.43 43.6 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.481 -0.781 . . . . 15.0 113.063 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 60' ' ' ILE . . . . . 0.607 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 35.3 mm -13.51 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 115.093 1.516 . . . . 15.0 115.093 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.88 -24.47 54.03 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-N 115.867 -0.606 . . . . 15.0 114.465 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 62' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' P' ' 62' ' ' LYS . 7.5 tmtm? -65.72 -40.38 92.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.151 0.501 . . . . 15.0 109.91 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 63' ' ' PHE . . . . . 0.708 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 31.0 m-85 -79.94 -24.42 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.798 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 64' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 81.9 mt-30 -55.07 -65.19 0.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 65' ' ' GLU . . . . . 0.441 ' O ' HG13 ' P' ' 69' ' ' ILE . 41.6 tp10 -52.25 -45.77 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.627 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 66' ' ' GLU . . . . . 0.666 ' OE1' HD12 ' P' ' 69' ' ' ILE . 5.4 mm-40 -55.7 -53.81 52.01 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 67' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.89 -43.57 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.704 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.96 -33.79 66.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.028 0.442 . . . . 15.0 110.422 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 69' ' ' ILE . . . . . 0.666 HD12 ' OE1' ' P' ' 66' ' ' GLU . 96.9 mt -64.95 -62.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.923 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 70' ' ' TYR . . . . . 0.521 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 65.4 m-85 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.419 -0.81 . . . . 15.0 111.514 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.579 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.926 0 C4'-C3'-C2' 104.884 1.684 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.8 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.921 1.656 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.8 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C3'-C2'-C1' 101.623 -0.769 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.694 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C3'-C2'-C1' 101.948 -0.537 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.694 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C1'-O4'-C4' 110.205 0.361 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.544 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C3'-C2'-C1' 100.851 -1.32 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.991 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 105.464 1.974 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.991 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 107.466 1.242 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.752 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.729 0 C3'-C2'-C1' 99.706 -2.139 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.752 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.754 0 C3'-C2'-C1' 104.688 1.42 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.533 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 104.189 0.989 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.834 " H1'" " O5'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.092 0.902 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.834 " O5'" " H1'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 N19-C1'-C2' 115.109 0.568 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.825 " O5'" H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.253 0.395 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.57 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 O4'-C1'-C2' 106.707 0.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.57 ' N3 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 106.664 0.512 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.835 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C2'-C3'-O3' 113.68 1.141 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.852 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C2'-C3'-O3' 113.376 1.028 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.852 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 C3'-C2'-C1' 101.858 -0.601 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 1.003 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C4'-C3'-C2' 100.929 -2.271 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 1.003 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.534 0.927 0 C2'-C3'-O3' 114.292 1.368 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.713 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.434 -1.115 0 O4'-C1'-C2' 107.902 1.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.994 ' C8 ' ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.359 -0.841 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 1.027 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.901 0 O4'-C1'-N19 109.324 1.904 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.741 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.519 -0.884 0 O4'-C4'-C3' 103.721 -1.879 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.741 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.438 0.576 0 O4'-C1'-C2' 107.807 1.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.641 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 106.227 0.627 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.498 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C3'-C2'-C1' 102.112 -0.42 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 0' ' ' MET . . . . . 0.552 ' O ' ' HB3' ' P' ' 1' ' ' ALA . 56.4 ttp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.805 0.336 . . . . 15.0 111.161 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.571 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . 77.14 178.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.827 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.467 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 98.6 mtt180 -50.56 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 15.0 111.288 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.48 ' HG3' " O5'" ' A' ' 9' ' ' ' DT' . 0.0 OUTLIER -175.37 171.13 2.93 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.551 0.574 . . . . 15.0 112.551 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 1.027 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.44 -49.91 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.748 178.68 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.811 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 12.9 mtp-105 -161.39 -100.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.612 -0.722 . . . . 15.0 109.387 -178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 48.36 -48.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.802 1.038 . . . . 15.0 113.802 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.719 ' N ' ' O ' ' P' ' 5' ' ' ARG . 8.9 t-20 -55.27 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.908 0.336 . . . . 15.0 111.908 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.93 ' CD1' HG21 ' P' ' 40' ' ' ILE . 30.0 m-85 -57.0 100.49 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 118.55 0.614 . . . . 15.0 111.699 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -68.35 176.41 2.82 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.765 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' P' ' 10' ' ' LYS . 1.0 OUTLIER -55.72 -20.13 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.957 0.355 . . . . 15.0 111.957 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 32.4 tp60 -75.29 -47.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 15.0 110.806 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.612 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.82 -41.71 97.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.886 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -56.24 -55.04 38.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 15.0 111.49 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 23.1 pt-20 -54.99 -40.55 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 15.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.449 HG13 ' HG3' ' P' ' 14' ' ' GLU . 46.7 mt -72.72 -55.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.307 0.854 . . . . 15.0 113.307 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.67 HD22 ' HE1' ' P' ' 49' ' ' PHE . 67.3 mt -59.32 -42.98 92.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 7.0 p30 -60.6 -53.36 58.36 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.504 -0.479 . . . . 15.0 111.162 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 49.7 mt-10 -46.45 -43.65 16.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.467 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.469 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 15.7 t80 -76.89 -38.29 53.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 15.0 110.203 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' P' ' 23' A LEU . 0.5 OUTLIER -52.19 -48.57 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.009 178.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.455 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 64.5 m-85 -63.66 11.02 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.459 ' H ' ' C ' ' P' ' 20' ' ' PHE . 60.0 p -114.17 -23.22 9.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.752 0.31 . . . . 15.0 110.325 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -121.85 34.68 5.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.115 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' A LEU . . . . . 0.83 HD21 ' CE1' ' P' ' 20' ' ' PHE . 6.5 mt -46.42 -56.79 5.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.81 0.338 . . . . 15.0 110.555 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 53.9 m -58.21 -7.54 0.86 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.347 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' C ASN . . . . . . . . . . . . . 74.7 m-80 -142.53 75.13 19.26 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 108.611 -0.885 . . . . 15.0 108.611 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.516 ' HD3' ' O ' ' P' ' 23' A LEU . 33.3 Cg_endo -63.88 48.93 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.604 2.869 . . . . 15.0 114.253 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.2 p90 -154.8 122.53 2.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.658 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.652 ' HG3' HG12 ' P' ' 45' ' ' VAL . 11.8 Cg_endo -51.45 -150.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.212 2.608 . . . . 15.0 112.105 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.993 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 51.5 m -145.82 168.82 19.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.361 -1.718 . . . . 15.0 106.361 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 24.3 pt-20 -50.26 -52.45 36.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 118.906 0.776 . . . . 15.0 110.968 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 29' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 12.5 pt-20 -70.78 -29.78 66.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.978 -0.289 . . . . 15.0 110.598 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.993 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -65.51 -55.62 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.608 -0.269 . . . . 15.0 110.662 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.732 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.18 -23.4 62.2 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.186 -0.606 . . . . 15.0 110.202 178.624 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.511 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 94.2 mt-10 -75.75 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.87 -0.605 . . . . 15.0 109.823 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.58 -48.77 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.127 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.604 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -54.71 -61.36 2.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.106 0.479 . . . . 15.0 110.598 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.424 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.02 -30.34 59.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 15.0 112.139 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.4 OUTLIER -76.37 -46.32 27.94 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 122.123 0.963 . . . . 15.0 109.362 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.95 -46.69 73.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 113.715 -1.584 . . . . 15.0 111.712 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.612 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.5 m -73.94 -52.35 13.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.55 -0.75 . . . . 15.0 112.154 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.85 19.33 5.68 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.15 -0.78 . . . . 15.0 111.15 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.93 HG21 ' CD1' ' P' ' 8' ' ' PHE . 17.8 pt -107.59 -163.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.628 -0.508 . . . . 15.0 109.628 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.497 HG22 ' CD ' ' P' ' 44' ' ' GLN . 10.4 t -121.15 143.34 49.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.569 -0.9 . . . . 15.0 108.569 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.732 HG13 ' HG3' ' P' ' 31' ' ' LYS . 16.5 t -26.38 -74.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 123.475 0.485 . . . . 15.0 112.039 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.469 ' N ' HG12 ' P' ' 42' ' ' VAL . 54.5 m -44.02 -31.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.526 ' HB3' ' CE1' ' P' ' 8' ' ' PHE . 82.3 mt-30 -67.44 -37.73 83.44 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.242 -0.583 . . . . 15.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.832 HG22 HD11 ' P' ' 40' ' ' ILE . 67.2 t -56.3 -54.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.56 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.97 -27.52 53.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.238 0.542 . . . . 15.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 47' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.4 t-20 -73.51 -51.95 15.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.275 -0.875 . . . . 15.0 109.293 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.602 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 66.4 t90 -57.26 -56.41 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.224 -0.898 . . . . 15.0 111.224 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.67 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -48.0 -55.9 8.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.77 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.538 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -47.15 -38.7 11.81 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.814 -0.708 . . . . 15.0 113.221 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -71.98 -32.14 66.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.957 0.354 . . . . 15.0 111.957 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.602 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 13.4 mmmm -59.75 -45.68 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.769 0.285 . . . . 15.0 111.769 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.671 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 2.1 ptm85 -60.63 -44.93 95.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.252 0.549 . . . . 15.0 109.723 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.906 HG22 ' HE3' ' P' ' 58' ' ' LYS . 12.1 mm -55.68 -62.0 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.373 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 44.5 ttp180 -49.72 -31.97 12.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.795 0.331 . . . . 15.0 110.544 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.744 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -57.11 -60.09 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.15 0.5 . . . . 15.0 110.46 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.652 ' HE2' ' HA ' ' P' ' 57' ' ' LYS . 10.8 mmpt? -46.27 -17.41 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.426 0.899 . . . . 15.0 113.426 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.906 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -81.09 -38.59 27.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.645 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' P' ' 62' ' ' LYS . 65.7 m-20 -135.53 41.62 2.74 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.795 0.665 . . . . 15.0 112.795 -178.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.503 HD11 ' HA ' ' P' ' 57' ' ' LYS . 40.7 mm -13.86 -72.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 114.905 1.446 . . . . 15.0 114.905 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.58 -23.19 13.19 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-N 116.069 -0.514 . . . . 15.0 114.1 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.3 tttm -74.21 -38.79 63.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.261 0.553 . . . . 15.0 109.988 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.744 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.5 m-85 -80.23 -29.09 38.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.401 -0.818 . . . . 15.0 111.581 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 64' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 84.3 mt-30 -56.97 -65.83 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.425 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -51.57 -42.56 61.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.756 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.0 mt-10 -59.31 -51.23 70.82 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.044 -0.724 . . . . 15.0 109.044 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.631 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.72 -41.39 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.878 -1.055 . . . . 15.0 110.399 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.996 0.427 . . . . 15.0 110.336 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.425 HG13 ' O ' ' P' ' 65' ' ' GLU . 91.1 mt -62.27 -60.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.624 . . . . 15.0 110.828 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.455 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 56.3 m-85 -66.45 -32.08 73.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.451 -0.795 . . . . 15.0 111.59 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.825 ' O ' HG23 ' P' ' 74' ' ' THR . . . -56.91 -56.62 19.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.561 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.32 -25.29 14.39 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.044 0.387 . . . . 15.0 112.044 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.567 ' O ' HG12 ' P' ' 76' ' ' VAL . 0.4 OUTLIER -99.24 40.56 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.679 0.276 . . . . 15.0 111.729 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.825 HG23 ' O ' ' P' ' 71' ' ' ALA . 39.5 p -90.58 -19.31 23.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.582 -0.281 . . . . 15.0 111.154 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.86 4.03 20.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.48 -0.327 . . . . 15.0 111.812 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.567 HG12 ' O ' ' P' ' 73' ' ' LYS . 10.2 p -83.86 130.8 35.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.734 0.302 . . . . 15.0 111.189 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 77' ' ' THR . . . . . 0.546 HG23 HG22 ' P' ' 76' ' ' VAL . 81.7 p 53.29 96.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.185 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.225 -0.893 . . . . 15.0 111.159 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.612 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.526 0.838 0 C4'-C3'-C2' 104.888 1.688 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.612 ' C5 ' " H1'" ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.858 1.599 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.607 ' OP2' H2'' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 101.648 -0.752 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.536 ' C6 ' H2'' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C4'-C3' 106.175 0.575 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.61 ' C2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C1'-O4'-C4' 107.848 -1.323 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.417 H2'' ' OP2' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C3'-C2'-C1' 100.537 -1.545 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.641 ' N2 ' ' C2 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O4'-C1'-N19 108.457 0.821 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.86 " H2'" ' H72' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.339 1.126 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.895 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 99.45 -2.322 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.895 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.79 0 C3'-C2'-C1' 104.648 1.391 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.463 H2'' ' C5 ' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 103.974 0.774 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.832 " H1'" " O5'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.432 0.79 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.832 " O5'" " H1'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 107.527 1.297 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.61 " O5'" " H4'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C4'-C3'-C2' 104.425 1.225 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.61 ' N2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O5'-C5'-C4' 110.945 0.532 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.61 ' N3 ' ' N2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 101.538 -0.83 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.657 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C3'-C2'-C1' 104.613 1.367 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.791 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.409 -0.869 0 C4'-C3'-C2' 104.999 1.799 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.791 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C4'-C3'-C2' 103.74 0.54 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.972 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C4'-C3'-C2' 101.086 -2.114 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.972 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.444 0.994 0 C2'-C3'-O3' 114.229 1.344 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.716 H2'' " O4'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.437 -0.805 0 C3'-C2'-C1' 105.047 1.676 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.803 " O3'" ' HA ' ' P' ' 2' ' ' ARG . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 O4'-C1'-N19 108.852 1.316 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.853 " H5'" ' O ' ' P' ' 2' ' ' ARG . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 O4'-C1'-N19 109.206 1.758 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.782 H5'' ' O ' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C4'-C3' 104.254 -1.346 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.74 " O4'" " H5'" ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.602 0 C3'-C2'-C1' 104.993 1.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.74 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 106.141 0.541 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.524 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C4'-C3' 106.155 0.555 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 0' ' ' MET . . . . . 0.545 ' O ' " H1'" ' A' ' 9' ' ' ' DT' . 25.3 ptt? . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.662 0.267 . . . . 15.0 111.501 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' P' ' 0' ' ' MET . . . -167.57 26.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.441 -0.345 . . . . 15.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.853 ' O ' " H5'" ' B' ' 24' ' ' ' DT' . 32.9 mmm-85 -63.38 37.04 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.253 0.834 . . . . 15.0 113.253 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.602 ' CZ ' " H5'" ' A' ' 9' ' ' ' DT' . 0.0 OUTLIER -177.02 -175.42 0.59 Allowed 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 122.164 -0.335 . . . . 15.0 110.931 179.61 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.732 ' CB ' ' H2 ' ' B' ' 23' ' ' ' DA' . 0.0 OUTLIER -178.92 -41.25 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.684 0.624 . . . . 15.0 112.684 177.337 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.782 ' O ' H5'' ' B' ' 25' ' ' ' DG' . 7.1 ptm180 -148.55 141.21 24.5 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.142 0.496 . . . . 15.0 111.521 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 7.7 ptm180 155.94 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.883 -1.053 . . . . 15.0 108.898 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.484 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 8.2 t30 -67.61 -83.62 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.953 -1.021 . . . . 15.0 111.957 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.794 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.2 OUTLIER -69.26 114.41 7.49 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 122.084 -0.385 . . . . 15.0 110.422 -179.4 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -73.11 176.9 5.41 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -54.96 -20.98 10.27 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.695 0.258 . . . . 15.0 111.695 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 34.9 tp60 -78.28 -48.31 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 15.0 110.59 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.596 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.07 -42.37 99.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.289 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 81.5 p -56.53 -55.29 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.865 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.6 pt-20 -56.47 -43.13 79.28 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.356 0.598 . . . . 15.0 110.644 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.406 HG23 ' HE3' ' P' ' 37' ' ' LYS . 53.5 mt -60.95 -59.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 15.0 111.808 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 57.7 mt -58.66 -46.76 86.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.358 -0.383 . . . . 15.0 110.592 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.54 ' HB3' ' HE2' ' P' ' 21' ' ' TYR . 50.9 m-20 -50.62 -63.24 1.19 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.668 0.27 . . . . 15.0 111.569 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -41.1 -50.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.18 -0.463 . . . . 15.0 111.498 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.661 ' CD2' HD11 ' P' ' 34' ' ' LEU . 2.0 t80 -65.19 -43.44 91.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 15.0 111.037 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.824 ' CE1' HD21 ' P' ' 23' A LEU . 0.7 OUTLIER -53.5 -52.72 58.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 15.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.54 ' HE2' ' HB3' ' P' ' 17' ' ' ASN . 59.2 m-85 -59.35 6.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.618 0.599 . . . . 15.0 112.618 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.512 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.9 m -109.22 -22.56 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 15.0 110.513 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.497 ' O ' ' C ' ' P' ' 23' C ASN . 2.8 m-70 -124.63 35.65 4.76 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.68 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 23' A LEU . . . . . 0.824 HD21 ' CE1' ' P' ' 20' ' ' PHE . 8.7 mt -45.81 -55.78 6.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.807 0.337 . . . . 15.0 111.121 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -56.64 -15.52 4.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 120.888 -0.325 . . . . 15.0 111.121 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 23' C ASN . . . . . 0.685 ' HB2' ' CE1' ' P' ' 25' ' ' TYR . 15.8 p30 -156.04 70.2 5.11 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 108.388 -0.968 . . . . 15.0 108.388 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' P' ' 23' A LEU . 9.7 Cg_exo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.868 3.045 . . . . 15.0 115.509 -176.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.685 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.0 OUTLIER -126.66 119.66 22.9 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 109.787 -0.449 . . . . 15.0 109.787 177.147 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.756 ' HG3' HG12 ' P' ' 45' ' ' VAL . 7.6 Cg_endo -48.8 -154.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.286 2.657 . . . . 15.0 113.169 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.974 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 47.1 t -155.32 172.2 18.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.448 -1.686 . . . . 15.0 106.448 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -49.09 -53.46 20.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 118.483 0.583 . . . . 15.0 110.959 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.8 -33.64 74.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.75 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.974 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.6 -55.81 20.82 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.691 -0.232 . . . . 15.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.626 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.73 -24.67 64.2 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 119.998 -0.681 . . . . 15.0 110.257 178.794 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.7 mt-10 -75.76 -60.74 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.99 178.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -58.87 -48.54 81.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 15.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.661 HD11 ' CD2' ' P' ' 19' ' ' TYR . 95.9 mt -56.15 -59.82 4.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.966 0.412 . . . . 15.0 110.693 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.421 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.61 -30.08 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.913 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.2 OUTLIER -76.32 -46.73 26.35 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.962 0.887 . . . . 15.0 109.628 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' P' ' 15' ' ' ILE . 23.7 mtpp -67.71 -45.4 75.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.918 -1.492 . . . . 15.0 111.881 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.596 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 58.1 m -74.15 -50.2 20.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.812 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.42 17.46 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.226 -0.749 . . . . 15.0 111.226 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.794 HG21 ' CD2' ' P' ' 8' ' ' PHE . 12.9 pt -107.28 -163.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.174 -0.513 . . . . 15.0 109.637 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.506 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.7 t -121.43 145.3 48.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.469 -0.937 . . . . 15.0 108.469 177.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.626 HG13 ' HG3' ' P' ' 31' ' ' LYS . 6.9 t -27.08 -75.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 123.295 0.372 . . . . 15.0 111.518 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.538 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.0 m -42.31 -31.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.398 0.888 . . . . 15.0 113.398 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.506 ' OE1' HG22 ' P' ' 41' ' ' THR . 85.5 mt-30 -66.71 -33.61 76.02 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.482 -0.487 . . . . 15.0 110.47 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.756 HG12 ' HG3' ' P' ' 26' ' ' PRO . 57.8 t -63.89 -59.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.238 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 55.2 m -51.88 -29.44 19.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.406 0.622 . . . . 15.0 109.816 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -73.73 -51.64 15.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.025 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.624 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 74.6 t90 -57.71 -59.97 4.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.81 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.609 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 7.6 m-85 -47.91 -57.12 6.11 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.491 ' HA2' ' NH1' ' P' ' 53' ' ' ARG . . . -33.04 -67.99 0.18 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 116.01 -0.541 . . . . 15.0 113.992 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.518 ' ND2' " H2'" ' A' ' 7' ' ' ' DG' . 6.8 p-10 -59.22 -40.14 84.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.434 0.531 . . . . 15.0 112.434 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.624 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 4.7 mmmp? -44.95 -55.07 5.82 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.442 0.534 . . . . 15.0 112.442 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.724 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 19.0 ptt-85 -58.08 -45.54 86.99 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.983 HG22 ' HE3' ' P' ' 58' ' ' LYS . 14.3 mm -54.77 -51.24 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.461 -0.94 . . . . 15.0 108.461 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 2.5 tpm_? -51.03 -39.91 56.99 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.418 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.724 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 3.7 t80 -50.78 -59.61 3.92 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.863 -0.608 . . . . 15.0 111.098 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 53.5 mttt -50.77 -19.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.987 1.106 . . . . 15.0 113.987 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.983 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -71.92 -38.03 69.95 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.421 -0.585 . . . . 15.0 109.421 179.734 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' P' ' 58' ' ' LYS . 2.7 m120 -139.94 45.05 1.9 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.877 0.695 . . . . 15.0 112.877 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 51.0 mm -13.88 -69.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 115.129 1.529 . . . . 15.0 115.129 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.8 -25.43 56.01 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 116.118 -0.492 . . . . 15.0 114.252 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' P' ' 59' ' ' ASN . 87.2 tttt -66.01 -41.3 91.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.096 0.474 . . . . 15.0 110.226 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.696 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 27.7 m-85 -79.02 -27.62 43.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 15.0 111.887 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -52.25 -62.14 1.82 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.495 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.0 tt0 -53.25 -47.62 68.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.546 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' P' ' 69' ' ' ILE . 52.0 mm-40 -54.4 -54.86 34.95 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.047 -0.979 . . . . 15.0 110.517 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -74.43 -34.63 63.27 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.402 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.495 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.8 mt -64.82 -52.43 54.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.781 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.475 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 17.4 m-85 -66.1 -25.92 67.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.071 0.462 . . . . 15.0 110.624 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.42 -57.23 13.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.972 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.68 -7.71 41.49 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.669 0.618 . . . . 15.0 112.669 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.593 ' O ' HG22 ' P' ' 74' ' ' THR . 9.6 mtpm? -68.59 -172.76 0.38 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.911 -0.316 . . . . 15.0 110.808 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.593 HG22 ' O ' ' P' ' 73' ' ' LYS . 8.8 t 53.68 120.39 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.238 0.542 . . . . 15.0 111.369 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 76.9 5.51 3.33 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.822 -0.626 . . . . 15.0 111.353 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 10.6 p -86.03 139.42 17.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.816 0.341 . . . . 15.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -145.62 152.25 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 15.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.238 -0.887 . . . . 15.0 111.05 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.61 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.02 0 C4'-C3'-C2' 104.849 1.649 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.849 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.883 1.62 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.849 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 101.521 -0.842 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.629 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C1'-O4'-C4' 110.297 0.426 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.629 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 103.898 0.698 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C4'-C3'-C2' 102.247 -0.953 . . . . 15.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.778 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 105.043 1.674 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.778 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.545 0 O4'-C1'-C2' 106.964 0.786 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.745 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.872 0 C3'-C2'-C1' 99.437 -2.331 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.745 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.719 0 O4'-C1'-C2' 107.638 1.398 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.529 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.497 1.27 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.529 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C1'-O4'-C4' 110.337 0.455 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.509 " H1'" ' C6 ' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C5'-C4'-O4' 108.692 -0.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.509 ' C6 ' " H1'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.794 0 C4'-C3'-C2' 104.756 1.556 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.56 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O5'-C5'-C4' 110.921 0.515 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.6 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 102.033 -0.477 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.6 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C3'-C2'-C1' 104.756 1.469 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.731 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C4'-C3'-C2' 101.61 -1.59 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.731 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 101.813 -0.633 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.914 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 C3'-C2'-C1' 99.276 -2.445 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.914 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -1.05 0 C4'-C3'-C2' 100.423 -2.777 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.713 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.573 0 O4'-C1'-C2' 108.041 1.765 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.713 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.03 0 C1'-O4'-C4' 107.263 -1.741 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.767 " C5'" ' HB1' ' P' ' 1' ' ' ALA . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C3'-C2'-C1' 100.387 -1.652 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.703 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.52 -0.812 0 O4'-C4'-C3' 103.535 -2.065 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.703 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.439 0.579 0 C3'-C2'-C1' 105.107 1.719 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.642 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C4'-C3' 106.285 0.685 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.532 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-N19 108.237 0.547 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 55.1 ttp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.9 0.381 . . . . 15.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.767 ' HB1' " C5'" ' B' ' 24' ' ' ' DT' . . . -72.8 163.01 28.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.258 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.594 ' N ' H5'' ' B' ' 24' ' ' ' DT' . 28.6 mtp180 -52.47 -96.55 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.441 -0.345 . . . . 15.0 111.648 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.543 ' HG3' " O5'" ' A' ' 9' ' ' ' DT' . 0.0 OUTLIER -177.61 155.76 1.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.245 0.831 . . . . 15.0 113.245 -178.577 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.746 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER 179.49 -36.94 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 112.676 0.621 . . . . 15.0 112.676 175.283 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.746 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 0.5 OUTLIER -153.31 -161.23 1.24 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.909 -178.429 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.435 ' NH1' ' OP1' ' B' ' 25' ' ' ' DG' . 54.9 mtp180 79.36 -36.3 0.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' P' ' 5' ' ' ARG . 3.9 t-20 -55.78 -101.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.818 -1.083 . . . . 15.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.742 ' CD2' HG21 ' P' ' 40' ' ' ILE . 28.9 m-85 -65.86 110.81 3.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.027 0.831 . . . . 15.0 109.993 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -67.82 172.6 5.19 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.77 -0.455 . . . . 15.0 109.77 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' P' ' 11' ' ' GLN . 0.1 OUTLIER -58.1 -15.15 8.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 111.79 0.293 . . . . 15.0 111.79 -179.357 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -79.39 -46.66 17.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.238 0.542 . . . . 15.0 109.883 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.6 -42.35 98.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.675 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.9 p -56.53 -55.13 37.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 15.0 111.581 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.5 pt-20 -55.97 -41.26 74.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.256 0.55 . . . . 15.0 110.717 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' P' ' 38' ' ' SER . 59.4 mt -64.77 -58.31 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.053 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.64 HD22 ' HE1' ' P' ' 49' ' ' PHE . 58.5 mt -60.68 -45.81 92.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.115 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' P' ' 13' ' ' THR . 72.5 m-20 -51.33 -59.92 3.7 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 15.0 110.855 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' P' ' 14' ' ' GLU . 96.9 mt-10 -44.53 -45.5 9.36 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.555 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.56 ' HD2' HD11 ' P' ' 34' ' ' LEU . 10.0 t80 -75.91 -36.22 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.742 0.306 . . . . 15.0 110.611 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.603 ' CZ ' ' CD2' ' P' ' 23' A LEU . 22.5 t80 -53.3 -50.49 64.79 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.912 0.386 . . . . 15.0 110.768 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.5 m-85 -59.9 11.39 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.604 0.594 . . . . 15.0 112.604 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.553 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.4 t -116.28 -19.32 10.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 15.0 110.282 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.444 ' HB3' ' OD1' ' P' ' 23' C ASN . 2.7 m-70 -125.94 33.18 5.11 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.18 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 23' A LEU . . . . . 0.642 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.0 mt -43.75 -64.79 0.59 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 53.3 m -58.22 -3.1 0.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.398 0.518 . . . . 15.0 112.398 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 23' C ASN . . . . . 0.65 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 6.1 p30 -153.97 72.42 6.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.654 ' HG3' ' HD2' ' P' ' 53' ' ' ARG . 58.9 Cg_endo -69.47 70.52 1.42 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.847 2.365 . . . . 15.0 113.541 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.65 ' CZ ' ' HB2' ' P' ' 23' C ASN . 11.0 p90 -153.56 120.44 2.93 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.761 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.611 ' HG3' HG12 ' P' ' 45' ' ' VAL . 17.8 Cg_endo -54.81 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 123.213 2.609 . . . . 15.0 112.291 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 27' ' ' SER . . . . . 1.042 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 46.1 t -149.15 169.23 21.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 105.596 -2.002 . . . . 15.0 105.596 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 95.1 mt-10 -49.31 -53.89 19.76 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.238 0.926 . . . . 15.0 110.561 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.44 -34.58 76.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.504 -0.316 . . . . 15.0 110.519 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 1.042 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -62.24 -57.07 12.81 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 121.237 -0.185 . . . . 15.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.689 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.34 -24.38 59.61 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 120.215 -0.594 . . . . 15.0 110.361 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 49.3 mt-10 -75.94 -60.04 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 15.0 109.952 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.472 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.72 -50.19 74.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.506 -0.315 . . . . 15.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.565 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -53.75 -62.49 1.62 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.978 0.418 . . . . 15.0 110.687 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.442 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.16 -29.83 33.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.554 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.513 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.12 -43.15 44.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.992 0.901 . . . . 15.0 109.083 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.99 -48.53 62.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.76 -1.564 . . . . 15.0 111.723 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.574 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 2.0 p -74.33 -51.14 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.683 -0.69 . . . . 15.0 112.498 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.48 19.3 6.24 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.233 -0.747 . . . . 15.0 111.233 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.742 HG21 ' CD2' ' P' ' 8' ' ' PHE . 7.7 pt -104.08 -166.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.177 0.591 . . . . 15.0 109.417 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.507 ' O ' ' C ' ' P' ' 42' ' ' VAL . 8.7 t -117.34 137.87 52.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.689 HG13 ' HG3' ' P' ' 31' ' ' LYS . 3.9 t -25.16 -76.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.983 0.421 . . . . 15.0 111.48 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.585 ' N ' HG12 ' P' ' 42' ' ' VAL . 53.5 m -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.953 0.723 . . . . 15.0 112.953 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.616 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 25.2 tp60 -65.94 -38.3 88.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.734 HG22 HD11 ' P' ' 40' ' ' ILE . 62.9 t -59.24 -58.52 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 46' ' ' SER . . . . . 0.429 ' HA ' ' HD2' ' P' ' 26' ' ' PRO . 47.5 t -51.1 -28.98 11.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.378 0.609 . . . . 15.0 110.306 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 47' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.3 t-20 -74.04 -49.45 24.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.114 -0.948 . . . . 15.0 108.638 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.657 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 52.8 t90 -58.1 -59.68 4.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.869 -1.059 . . . . 15.0 111.71 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.64 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.3 m-85 -47.92 -59.13 3.57 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.343 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.8 -48.22 24.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.24 -0.981 . . . . 15.0 111.961 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.543 ' HA ' HG12 ' P' ' 54' ' ' ILE . 25.8 t-20 -66.19 -30.04 70.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 15.0 110.654 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 50.7 tptt -60.53 -35.6 76.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.654 ' HD2' ' HG3' ' P' ' 24' ' ' PRO . 9.8 ptm180 -72.86 -34.57 66.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.93 HG22 ' HE3' ' P' ' 58' ' ' LYS . 9.6 mm -55.25 -55.56 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.828 -1.175 . . . . 15.0 107.828 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.472 ' CZ ' ' OP2' ' A' ' 7' ' ' ' DG' . 37.7 ttm180 -49.35 -43.62 43.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.272 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.633 ' HA ' ' CD1' ' P' ' 63' ' ' PHE . 1.7 t80 -54.89 -59.78 4.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.588 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' P' ' 53' ' ' ARG . 0.0 OUTLIER -44.96 -17.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.014 1.116 . . . . 15.0 114.014 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.93 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -79.76 -36.3 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.624 0.249 . . . . 15.0 111.616 -178.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' P' ' 60' ' ' ILE . 50.9 m-20 -143.15 45.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 15.0 113.548 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.563 HD12 ' CZ ' ' P' ' 56' ' ' TYR . 35.9 mm -13.9 -71.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.966 1.469 . . . . 15.0 114.966 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.43 -22.83 16.98 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.149 -0.478 . . . . 15.0 114.138 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' P' ' 66' ' ' GLU . 61.5 tttm -75.77 -37.34 59.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.305 0.574 . . . . 15.0 109.845 179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.633 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 84.4 m-85 -80.41 -28.61 37.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.352 -0.84 . . . . 15.0 111.497 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 64' ' ' GLN . . . . . 0.481 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 84.4 mt-30 -57.08 -63.66 1.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.48 -0.563 . . . . 15.0 109.48 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.4 ' O ' HG13 ' P' ' 69' ' ' ILE . 89.1 tt0 -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.569 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 50.1 mt-10 -60.5 -49.87 75.82 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.655 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.73 -40.98 4.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.85 -1.068 . . . . 15.0 110.554 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.39 -36.91 63.54 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.059 0.457 . . . . 15.0 110.368 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.4 HG13 ' O ' ' P' ' 65' ' ' GLU . 85.3 mt -61.76 -62.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.168 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.486 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.2 m-85 -66.4 -31.78 72.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.483 -0.78 . . . . 15.0 111.809 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.2 -55.61 31.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 15.0 111.476 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.79 67.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 15.0 111.917 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.472 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 0.3 OUTLIER -68.92 72.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.027 0.441 . . . . 15.0 111.194 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.401 HG23 ' O ' ' P' ' 71' ' ' ALA . 70.3 p -89.44 -7.2 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.306 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' P' ' 76' ' ' VAL . . . -78.99 -75.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.762 0.315 . . . . 15.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.55 HG22 ' O ' ' P' ' 76' ' ' VAL . 7.6 p 44.02 61.53 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.64 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 74.7 p -93.3 -66.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.253 -0.879 . . . . 15.0 111.116 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.588 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -0.966 0 C4'-C3'-C2' 104.894 1.694 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.826 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.928 1.662 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.826 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 101.419 -0.915 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.668 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 C1'-O4'-C4' 110.335 0.454 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.668 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 104.037 0.837 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.541 ' O2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 100.557 -1.531 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 1.013 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.493 1.266 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 1.013 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 P--O3' 1.614 0.619 0 O3'-P-O5' 105.96 1.032 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.974 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.875 0 C3'-C2'-C1' 99.236 -2.474 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.974 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.735 0 C3'-C2'-C1' 104.703 1.431 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.61 " O4'" " H5'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 104.869 1.549 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.61 " H5'" " O4'" ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.503 0.573 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.63 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-C1' 104.793 1.495 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.63 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C4'-C3' 106.245 0.645 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.525 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 C3'-C2'-C1' 101.955 -0.532 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.525 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.248 0.391 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.682 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.336 1.124 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 1.028 " H1'" " O4'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 N19-C1'-C2' 116.182 1.239 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 1.028 " O4'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 101.42 -1.78 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.997 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 100.024 -1.912 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.997 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.532 0.821 0 C4'-C3'-C2' 101.463 -1.737 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.696 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 107.985 1.713 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.754 ' C8 ' ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 O4'-C1'-C2' 104.49 -1.463 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 1.05 ' O2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 O4'-C1'-N19 109.041 1.551 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.745 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C4'-C3' 103.891 -1.709 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.745 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.439 0.614 0 C3'-C2'-C1' 104.817 1.512 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.695 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C4'-C3' 106.196 0.596 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.513 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C4'-C3' 106.178 0.578 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 0' ' ' MET . . . . . 0.465 ' HG2' ' N ' ' P' ' 1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 120.528 0.204 . . . . 15.0 111.356 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.707 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . -167.28 108.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.105 0.478 . . . . 15.0 111.307 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.599 ' HB3' ' HD2' ' P' ' 3' ' ' ARG . 56.9 mtt85 -54.56 -70.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.051 0.76 . . . . 15.0 113.051 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.599 ' HD2' ' HB3' ' P' ' 2' ' ' ARG . 0.0 OUTLIER -176.44 157.71 1.71 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.593 0.59 . . . . 15.0 112.593 -177.823 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 1.05 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 3.4 tptp -171.09 -78.03 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 112.264 0.468 . . . . 15.0 112.264 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.714 ' N ' ' HG3' ' P' ' 4' ' ' LYS . 48.0 mtp180 -155.95 157.18 35.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.095 -176.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.561 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 19.8 ptt85 138.88 -30.1 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.117 0.967 . . . . 15.0 109.022 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.478 ' OD1' ' CE1' ' P' ' 8' ' ' PHE . 4.3 t-20 -59.11 -97.03 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.805 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.856 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.3 m-85 -64.48 109.33 1.92 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.601 0.637 . . . . 15.0 111.008 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -69.02 174.56 4.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.703 -0.48 . . . . 15.0 109.703 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' P' ' 10' ' ' LYS . 8.1 mtpm? -55.7 -19.92 12.58 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.911 0.337 . . . . 15.0 111.911 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.643 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 12.3 tp-100 -76.34 -47.37 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 15.0 110.446 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.637 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.26 -45.09 93.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.563 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 69.1 p -56.79 -54.49 45.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.479 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.6 pt-20 -53.31 -38.9 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.285 0.564 . . . . 15.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' P' ' 38' ' ' SER . 58.9 mt -72.5 -54.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.226 -0.897 . . . . 15.0 112.954 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.638 HD22 ' HE1' ' P' ' 49' ' ' PHE . 81.4 mt -60.15 -44.95 94.56 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.68 0.622 . . . . 15.0 112.68 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.575 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 17.7 p30 -60.55 -50.99 71.33 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.285 -0.566 . . . . 15.0 110.671 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.575 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 62.8 mm-40 -43.7 -39.04 3.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.475 . . . . 15.0 110.864 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.715 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -83.22 -34.96 25.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.724 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.693 ' CZ ' ' CD2' ' P' ' 23' A LEU . 18.9 t80 -53.24 -53.49 49.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.98 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 63.7 m-85 -57.97 10.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.503 ' H ' ' C ' ' P' ' 20' ' ' PHE . 85.4 p -115.02 -18.38 11.24 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.22 -0.3 . . . . 15.0 110.779 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' P' ' 24' ' ' PRO . 3.8 m-70 -129.5 31.72 4.75 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.095 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 23' A LEU . . . . . 0.693 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 13.9 mt -40.7 -62.28 0.82 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.087 0.403 . . . . 15.0 112.087 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.6 t -58.72 -9.96 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.493 0.553 . . . . 15.0 112.493 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 23' C ASN . . . . . 0.442 ' HB2' ' CE2' ' P' ' 25' ' ' TYR . 15.9 p-10 -173.03 70.52 0.39 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.688 0.28 . . . . 15.0 110.58 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' P' ' 23' A LEU . 61.8 Cg_endo -72.32 90.53 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.67 2.246 . . . . 15.0 111.899 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' P' ' 23' C ASN . 4.4 m-30 -123.37 89.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.838 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 81.1 Cg_endo -66.31 91.11 0.27 Allowed 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.594 2.196 . . . . 15.0 111.172 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.48 ' O ' ' O ' ' P' ' 26' ' ' PRO . 47.0 t -37.73 167.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.907 0.754 . . . . 15.0 111.499 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -44.73 -46.26 10.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.542 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.63 -32.56 68.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.557 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.769 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -65.53 -56.95 9.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.487 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.993 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.98 -23.39 65.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.025 0.44 . . . . 15.0 110.065 178.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.521 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 83.9 mt-10 -75.7 -59.8 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.693 . . . . 15.0 109.139 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.8 pt-20 -58.66 -47.97 82.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.786 HD12 HG11 ' P' ' 45' ' ' VAL . 91.6 mt -53.46 -60.45 3.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.999 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.91 -30.78 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 15.0 112.207 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.76 -46.68 29.48 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.963 0.887 . . . . 15.0 109.266 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.442 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.6 mtpp -67.66 -46.07 73.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.452 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.637 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 64.4 m -73.92 -53.17 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.24 -0.891 . . . . 15.0 112.297 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.35 17.9 6.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.896 -0.669 . . . . 15.0 111.525 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.856 HG21 ' CD2' ' P' ' 8' ' ' PHE . 8.1 pt -104.88 -165.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.3 t -116.67 137.21 52.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.522 -0.918 . . . . 15.0 108.522 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.993 HG13 ' HG3' ' P' ' 31' ' ' LYS . 21.8 t -21.86 -78.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 120.968 0.413 . . . . 15.0 111.877 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.535 ' N ' HG12 ' P' ' 42' ' ' VAL . 41.8 m -42.74 -28.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.493 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' P' ' 41' ' ' THR . 53.9 tp60 -66.37 -38.22 87.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.171 0.51 . . . . 15.0 109.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.833 HG22 HD11 ' P' ' 40' ' ' ILE . 78.2 t -60.48 -57.02 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.634 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -53.71 -25.28 17.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.267 0.556 . . . . 15.0 110.341 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 47' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.6 t-20 -73.94 -50.2 21.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.249 -0.887 . . . . 15.0 108.977 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.519 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 51.0 t90 -57.87 -60.3 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 15.0 111.507 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.638 ' HE1' HD22 ' P' ' 16' ' ' LEU . 8.3 m-85 -48.18 -59.06 3.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.462 -0.79 . . . . 15.0 112.143 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.654 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.3 -48.34 6.81 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.714 -0.755 . . . . 15.0 112.682 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.48 ' HA ' HG12 ' P' ' 54' ' ' ILE . 22.6 t-20 -75.47 -28.17 59.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.587 0.232 . . . . 15.0 111.53 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 21.2 tptm -60.24 -39.86 88.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.866 0.321 . . . . 15.0 111.866 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.9 ptm180 -71.17 -36.18 71.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.571 -0.9 . . . . 15.0 108.571 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.981 HG22 ' HE3' ' P' ' 58' ' ' LYS . 27.5 mm -53.89 -55.0 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.519 -0.764 . . . . 15.0 109.35 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 71.1 mtp180 -49.58 -42.06 43.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.708 0.289 . . . . 15.0 110.983 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.764 ' HA ' ' CD1' ' P' ' 63' ' ' PHE . 3.3 t80 -47.68 -59.97 2.9 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.165 0.507 . . . . 15.0 110.981 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.548 ' HA ' HD11 ' P' ' 60' ' ' ILE . 0.0 OUTLIER -46.29 -19.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.427 0.899 . . . . 15.0 113.427 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.981 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.6 OUTLIER -83.79 -39.09 20.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.537 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' P' ' 60' ' ' ILE . 60.0 m-20 -133.86 40.01 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.625 0.602 . . . . 15.0 112.625 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' P' ' 57' ' ' LYS . 36.7 mm -13.69 -71.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 114.547 1.314 . . . . 15.0 114.547 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.11 -25.82 40.36 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.025 -0.534 . . . . 15.0 114.138 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -70.46 -39.33 74.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.183 0.516 . . . . 15.0 110.106 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.764 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 96.1 m-85 -76.14 -30.81 58.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.762 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 64' ' ' GLN . . . . . 0.494 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 82.9 mt-30 -55.2 -62.09 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.874 -0.417 . . . . 15.0 109.874 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -51.24 -46.61 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.46 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' P' ' 69' ' ' ILE . 96.8 mt-10 -56.47 -51.76 67.24 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 108.796 -0.816 . . . . 15.0 108.796 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.81 -44.8 7.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.331 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -69.83 -34.51 73.76 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.168 -0.469 . . . . 15.0 109.977 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' P' ' 66' ' ' GLU . 78.6 mt -66.63 -54.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.877 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.557 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 77.3 m-85 -66.33 -9.37 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.678 -0.692 . . . . 15.0 111.785 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.25 -57.15 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 15.0 110.861 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.57 -24.93 64.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.886 0.699 . . . . 15.0 112.886 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.557 ' CD ' ' HA ' ' P' ' 70' ' ' TYR . 0.1 OUTLIER -68.89 -142.5 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 121.026 -0.27 . . . . 15.0 111.35 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' P' ' 75' ' ' ALA . 69.9 p 60.23 157.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.934 0.397 . . . . 15.0 110.833 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 75.08 6.54 4.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.98 -0.555 . . . . 15.0 111.317 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.494 HG22 ' N ' ' P' ' 77' ' ' THR . 9.2 p -86.26 159.62 3.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.854 0.359 . . . . 15.0 111.087 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 77' ' ' THR . . . . . 0.494 ' N ' HG22 ' P' ' 76' ' ' VAL . 87.8 m -144.98 115.09 7.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.816 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.207 -0.901 . . . . 15.0 111.1 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.587 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.817 0 C4'-C3'-C2' 104.892 1.692 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.759 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.862 1.601 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.759 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 101.69 -0.721 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.557 ' C5 ' H2'' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 101.879 -0.586 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.548 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 103.974 0.774 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.634 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 100.722 -1.413 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.937 " H2'" ' OD1' ' P' ' 51' ' ' ASN . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C3'-C2'-C1' 104.153 1.038 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.808 " H2'" ' H72' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.472 1.247 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.808 ' H72' " H2'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.716 0 C3'-C2'-C1' 99.886 -2.01 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.717 ' H72' " C2'" ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.713 0 C3'-C2'-C1' 104.808 1.506 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.499 " H5'" H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 107.516 1.287 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.454 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 103.773 0.573 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.649 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.601 1.364 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.649 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C5'-C4'-O4' 108.691 -0.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.54 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.599 0 O5'-C5'-C4' 110.889 0.492 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.54 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 101.918 -0.558 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.493 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 107.129 0.935 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.972 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C2'-C3'-O3' 113.395 1.035 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.972 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 101.795 -0.646 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 1.006 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 100.822 -2.378 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 1.006 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.516 -1.21 0 C4'-C3'-C2' 100.38 -2.82 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.791 H2'' " O5'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.439 0.632 0 O4'-C1'-C2' 107.901 1.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.791 " O5'" H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-N19 108.652 1.065 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.899 H5'' ' HB3' ' P' ' 1' ' ' ALA . . . . . . . . 0 C4'--C3' 1.536 0.793 0 O4'-C1'-N19 109.05 1.563 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.844 " C5'" " H1'" ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.773 0 O4'-C4'-C3' 103.553 -2.047 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.639 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.644 0 C3'-C2'-C1' 105.344 1.889 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.648 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C4'-C3'-C2' 104.182 0.982 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.504 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C3'-C2'-C1' 102.077 -0.445 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 55.3 ttp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 15.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.899 ' HB3' H5'' ' B' ' 24' ' ' ' DT' . . . -167.26 -162.03 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.572 ' HB2' ' OP2' ' B' ' 24' ' ' ' DT' . 61.4 mtt85 -45.71 -87.62 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' P' ' 3' ' ' ARG . 0.0 OUTLIER -176.98 159.32 1.68 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.322 0.49 . . . . 15.0 112.322 -178.333 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.846 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -179.31 -67.87 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 120.465 -0.494 . . . . 15.0 111.698 176.7 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.613 ' CG ' ' HD2' ' P' ' 4' ' ' LYS . 11.5 ptm180 -164.35 143.44 7.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.193 0.521 . . . . 15.0 111.573 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 1.8 ptm85 157.18 -28.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.729 -1.123 . . . . 15.0 108.614 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.447 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 6.3 t30 -60.1 -89.66 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.692 -1.14 . . . . 15.0 111.554 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.786 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.3 OUTLIER -61.2 102.67 0.23 Allowed 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.346 0.593 . . . . 15.0 111.053 -179.156 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -65.02 173.32 2.43 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.133 -0.939 . . . . 15.0 110.127 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -55.01 -16.98 3.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.647 0.26 . . . . 15.0 111.545 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 30.6 tp60 -79.21 -46.95 16.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.007 0.432 . . . . 15.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.582 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.09 -43.52 98.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.855 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 68.8 p -56.98 -56.1 26.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.074 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 14.2 pt-20 -52.7 -38.05 60.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.315 0.579 . . . . 15.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.516 HG23 ' HE2' ' P' ' 37' ' ' LYS . 65.0 mt -71.27 -56.06 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.271 -0.877 . . . . 15.0 113.239 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.624 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.3 mt -60.45 -43.75 96.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.158 0.799 . . . . 15.0 113.158 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.478 HD21 ' HA ' ' P' ' 14' ' ' GLU . 19.6 p30 -60.46 -52.83 63.52 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.265 -0.574 . . . . 15.0 111.028 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.525 ' OE2' HG11 ' P' ' 76' ' ' VAL . 50.1 mt-10 -45.97 -37.53 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 15.0 111.362 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.758 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.8 t80 -81.91 -40.37 22.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.929 0.395 . . . . 15.0 110.636 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.763 ' CE1' HD21 ' P' ' 23' A LEU . 0.3 OUTLIER -49.16 -48.23 45.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.504 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 68.5 m-85 -61.39 4.98 0.08 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.442 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.5 t -108.37 -25.97 10.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.556 0.217 . . . . 15.0 111.059 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 23' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -124.67 38.98 4.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.521 -0.309 . . . . 15.0 111.461 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 23' A LEU . . . . . 0.763 HD21 ' CE1' ' P' ' 20' ' ' PHE . 6.7 mt -46.45 -62.0 1.56 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.828 0.347 . . . . 15.0 111.121 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 80.3 p -59.91 -8.79 2.42 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.912 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 23' C ASN . . . . . 0.496 ' HB3' ' CE1' ' P' ' 25' ' ' TYR . 96.3 m-20 -141.41 69.06 26.58 Favored Pre-proline 0 N--CA 1.462 0.151 0 CA-C-O 121.026 0.441 . . . . 15.0 110.092 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' P' ' 23' A LEU . 48.8 Cg_endo -66.91 61.53 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.03 2.487 . . . . 15.0 113.222 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' P' ' 23' C ASN . 4.5 p90 -154.01 97.02 2.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 121.087 0.47 . . . . 15.0 110.197 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.755 ' HG3' HG12 ' P' ' 45' ' ' VAL . 87.7 Cg_endo -69.56 113.01 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.531 2.821 . . . . 15.0 112.934 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.408 ' O ' ' O ' ' P' ' 26' ' ' PRO . 51.1 m -36.19 159.75 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.258 -0.883 . . . . 15.0 111.256 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.468 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 94.6 mt-10 -46.26 -42.93 15.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.752 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.59 -24.07 56.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.849 0.357 . . . . 15.0 110.855 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.758 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -69.71 -54.28 14.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.982 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.981 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -62.3 -21.36 65.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.325 178.558 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 41.1 mt-10 -75.48 -59.78 2.6 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.56 -45.36 89.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.758 HD12 HG11 ' P' ' 45' ' ' VAL . 96.2 mt -56.64 -60.7 3.17 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.31 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.77 59.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.988 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.42 -46.77 30.74 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.991 0.901 . . . . 15.0 108.714 179.217 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.516 ' HE2' HG23 ' P' ' 15' ' ' ILE . 52.2 mtpt -65.63 -48.97 70.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.905 -1.498 . . . . 15.0 110.701 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.582 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 39.3 m -74.46 -52.04 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.975 -1.012 . . . . 15.0 111.66 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.6 23.89 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.866 -0.683 . . . . 15.0 111.872 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.875 HD11 HG22 ' P' ' 45' ' ' VAL . 3.8 pt -101.75 -168.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 122.293 0.237 . . . . 15.0 110.826 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.498 HG23 ' HB2' ' P' ' 44' ' ' GLN . 4.9 t -109.87 90.1 3.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.633 0.254 . . . . 15.0 110.634 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.981 HG13 ' HG3' ' P' ' 31' ' ' LYS . 14.4 t 17.43 -83.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 124.205 0.94 . . . . 15.0 112.142 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.646 ' N ' HG12 ' P' ' 42' ' ' VAL . 38.0 m -44.62 -24.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.524 ' HG3' ' CE2' ' P' ' 8' ' ' PHE . 8.4 tp-100 -67.01 -37.52 84.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.945 -0.761 . . . . 15.0 108.945 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.875 HG22 HD11 ' P' ' 40' ' ' ILE . 89.3 t -56.33 -54.72 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.18 -0.918 . . . . 15.0 109.699 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -56.04 -27.98 55.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.345 0.593 . . . . 15.0 110.27 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 47' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.8 t-20 -73.58 -52.04 14.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.167 -0.924 . . . . 15.0 109.616 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.554 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 82.0 t90 -56.89 -54.41 46.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.359 -0.837 . . . . 15.0 110.649 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.624 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -48.36 -54.19 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.393 -0.821 . . . . 15.0 110.87 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.649 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.56 -32.58 5.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.851 -0.69 . . . . 15.0 112.95 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.937 ' OD1' " H2'" ' A' ' 7' ' ' ' DG' . 1.1 t-20 -73.72 -54.18 8.67 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.771 0.32 . . . . 15.0 111.845 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.54 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 29.6 mmmt -38.81 -45.45 1.15 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.597 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.575 ' C ' ' H ' ' P' ' 55' ' ' ARG . 2.4 ptm85 -64.53 -47.36 79.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.649 HG12 ' O ' ' P' ' 50' ' ' GLY . 19.1 mm -60.42 6.03 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.128 0.49 . . . . 15.0 111.133 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.575 ' H ' ' C ' ' P' ' 53' ' ' ARG . 19.0 tpp180 -123.4 -24.61 4.58 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.766 -0.827 . . . . 15.0 108.766 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.66 ' CE2' HD12 ' P' ' 60' ' ' ILE . 47.8 t80 -61.53 -68.57 0.3 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.323 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.879 ' HA ' HD11 ' P' ' 60' ' ' ILE . 20.4 mtmt -49.36 -22.12 1.04 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.353 -0.84 . . . . 15.0 112.623 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.615 ' N ' ' HD2' ' P' ' 58' ' ' LYS . 0.7 OUTLIER -71.73 -37.67 70.55 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.449 -0.796 . . . . 15.0 108.912 178.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.2 m-20 -139.32 31.92 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.433 0.901 . . . . 15.0 113.433 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.879 HD11 ' HA ' ' P' ' 57' ' ' LYS . 42.2 mm -14.2 -67.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 114.842 1.423 . . . . 15.0 114.842 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.81 -28.62 31.72 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.355 -0.45 . . . . 15.0 113.399 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' P' ' 59' ' ' ASN . 2.6 tmmm? -67.8 -40.71 83.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.601 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 42.5 m-85 -77.49 -28.78 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.583 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -50.98 -65.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.406 ' O ' HG13 ' P' ' 69' ' ' ILE . 38.8 tt0 -52.64 -45.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.853 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' P' ' 69' ' ' ILE . 97.6 mt-10 -57.39 -52.43 65.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.345 0.593 . . . . 15.0 109.465 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.648 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.16 -39.41 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.664 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -72.89 -35.84 67.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.43 . . . . 15.0 110.27 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' P' ' 66' ' ' GLU . 69.3 mt -66.17 -54.3 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.165 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.461 ' HA ' ' HG2' ' P' ' 73' ' ' LYS . 15.8 m-85 -70.36 -27.67 64.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.12 -57.02 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.343 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.33 -48.68 68.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 15.0 111.675 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.48 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 0.4 OUTLIER -69.02 127.08 31.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.366 -0.379 . . . . 15.0 111.158 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.444 ' O ' ' HB3' ' P' ' 75' ' ' ALA . 72.6 p -151.38 166.2 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.887 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 70.53 14.81 7.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.797 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.525 HG11 ' OE2' ' P' ' 18' ' ' GLU . 12.0 p -85.54 125.44 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 15.0 111.051 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 77' ' ' THR . . . . . 0.464 ' O ' ' NE2' ' P' ' 11' ' ' GLN . 89.8 m -146.22 -46.77 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 15.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 78' ' ' ALA . . . . . 0.467 ' HB3' ' NE2' ' P' ' 11' ' ' GLN . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.177 -0.916 . . . . 15.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.595 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.926 0 C4'-C3'-C2' 104.902 1.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.711 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-C2' 107.848 1.589 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.711 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 101.627 -0.766 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.545 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C1'-O4'-C4' 110.377 0.484 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.545 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C1'-O4'-C4' 108.141 -1.114 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.538 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 100.069 -1.879 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.976 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C3'-C2'-C1' 105.766 2.19 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.976 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.315 1.105 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.83 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.939 0 C3'-C2'-C1' 99.595 -2.218 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.83 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 C3'-C2'-C1' 104.815 1.511 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.574 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.772 0.766 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.433 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-C2' 106.986 0.805 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.66 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 107.711 1.464 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.66 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 P-O3'-C3' 120.424 0.603 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.438 ' N3 ' " O4'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O5'-C5'-C4' 110.864 0.474 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.508 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 102.053 -0.462 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.508 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C1'-C2' 107.385 1.168 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.92 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C2'-C3'-O3' 113.385 1.031 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.92 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 P-O3'-C3' 120.514 0.678 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.964 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C3'-C2'-C1' 99.617 -2.202 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.964 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.534 0.929 0 C2'-C3'-O3' 114.705 1.52 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.807 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.437 -0.778 0 O4'-C1'-C2' 108.426 2.114 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.794 " C2'" ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 C1'-O4'-C4' 107.34 -1.685 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.97 ' C2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.898 0 C3'-C2'-C1' 100.485 -1.582 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.745 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C4'-C3' 104.449 -1.151 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.745 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.438 0.569 0 C3'-C2'-C1' 105.015 1.653 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.661 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C4'-C3' 106.311 0.711 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.54 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C3'-C2'-C1' 102.059 -0.458 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 0' ' ' MET . . . . . 0.533 ' CE ' ' HA ' ' P' ' 0' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.726 0.298 . . . . 15.0 110.815 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . -71.6 -151.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 15.0 111.208 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.587 ' HG2' " H5'" ' B' ' 23' ' ' ' DA' . 31.9 mmm-85 -49.77 -99.03 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 111.584 0.216 . . . . 15.0 111.584 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.602 ' HD2' ' O ' ' P' ' 3' ' ' ARG . 0.0 OUTLIER -176.87 175.62 1.58 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 122.333 -0.229 . . . . 15.0 110.92 -179.099 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.97 ' HG2' ' C2 ' ' B' ' 24' ' ' ' DT' . 0.7 OUTLIER -178.19 -76.13 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 112.739 0.644 . . . . 15.0 112.739 177.103 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.554 ' HB3' ' HD2' ' P' ' 4' ' ' LYS . 15.7 ptm180 -148.94 155.91 41.52 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.637 0.606 . . . . 15.0 112.637 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 14.6 ptm180 143.31 -25.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.347 -1.297 . . . . 15.0 109.055 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 26.8 t30 -56.99 -94.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.593 -1.185 . . . . 15.0 112.784 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.92 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.1 m-85 -66.21 116.3 7.13 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.359 0.527 . . . . 15.0 110.773 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -74.28 178.07 5.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.218 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.1 OUTLIER -55.56 -25.19 36.66 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.842 0.312 . . . . 15.0 111.842 -179.258 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.5 tt0 -74.91 -49.04 21.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.438 . . . . 15.0 110.576 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.591 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.79 -41.76 98.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 15.0 111.47 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 71.6 p -57.66 -54.92 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.964 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.2 pt-20 -56.5 -44.08 80.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.333 0.587 . . . . 15.0 110.545 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.447 HD13 ' C ' ' P' ' 37' ' ' LYS . 56.1 mt -59.18 -61.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.16 -0.927 . . . . 15.0 111.785 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.573 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 52.4 mt -57.41 -45.48 84.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 15.0 110.723 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' P' ' 21' ' ' TYR . 52.5 m-20 -53.51 -60.96 2.64 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.597 0.237 . . . . 15.0 111.561 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.432 ' HG2' ' HB3' ' P' ' 70' ' ' TYR . 55.3 mt-10 -43.41 -38.88 2.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.31 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.571 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.8 t80 -79.62 -39.03 32.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 15.0 110.41 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.55 ' CZ ' HD22 ' P' ' 23' A LEU . 28.4 t80 -53.29 -54.51 35.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.651 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.491 ' CE2' ' HB3' ' P' ' 17' ' ' ASN . 58.5 m-85 -56.84 6.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.81 0.671 . . . . 15.0 112.81 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.523 ' H ' ' C ' ' P' ' 20' ' ' PHE . 46.0 t -108.71 -20.79 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.385 -0.197 . . . . 15.0 110.89 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' P' ' 23' C ASN . 4.0 m-70 -129.9 35.75 4.12 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.623 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 23' A LEU . . . . . 0.597 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -43.65 -61.72 1.31 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 80.0 p -58.12 -8.44 1.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 23' C ASN . . . . . 0.59 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 13.9 p30 -159.6 66.88 2.87 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.668 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 5.7 Cg_exo -78.32 59.93 7.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.114 2.542 . . . . 15.0 114.225 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.636 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.4 p90 -125.46 108.01 26.66 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.73 ' HG3' HG12 ' P' ' 45' ' ' VAL . 1.3 Cg_endo -44.42 -151.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.337 2.692 . . . . 15.0 112.954 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.97 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 57.8 m -156.0 170.44 22.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.356 -1.72 . . . . 15.0 106.356 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -49.07 -52.5 25.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.463 0.574 . . . . 15.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -69.59 -33.99 73.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.797 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.97 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -62.52 -55.67 25.24 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.995 -0.282 . . . . 15.0 110.645 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.638 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.96 -23.95 62.09 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.274 178.854 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.505 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.6 mt-10 -75.72 -60.08 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.896 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' P' ' 34' ' ' LEU . 16.8 pt-20 -58.58 -48.96 79.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 15.0 110.221 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.724 HD12 HG11 ' P' ' 45' ' ' VAL . 97.5 mt -56.09 -59.75 4.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.91 0.386 . . . . 15.0 110.573 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.55 -30.08 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.405 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.26 -46.53 27.61 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 122.003 0.906 . . . . 15.0 109.374 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.447 ' C ' HD13 ' P' ' 15' ' ' ILE . 24.6 mtpp -66.87 -45.53 77.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.849 -1.523 . . . . 15.0 111.791 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.591 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 57.2 m -74.26 -49.48 23.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 15.0 112.046 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 17.7 8.32 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.893 -0.883 . . . . 15.0 110.893 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.92 HG21 ' CD2' ' P' ' 8' ' ' PHE . 19.8 pt -105.68 -163.82 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.537 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.8 t -121.17 144.23 48.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' P' ' 31' ' ' LYS . 10.6 t -26.0 -75.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 123.254 0.347 . . . . 15.0 111.554 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.516 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.7 m -42.33 -30.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.234 0.827 . . . . 15.0 113.234 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.537 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.3 mm100 -66.77 -33.79 76.41 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.09 0.471 . . . . 15.0 110.178 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.789 HG22 HD11 ' P' ' 40' ' ' ILE . 55.1 t -64.82 -60.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.614 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -51.93 -27.59 13.57 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.434 0.635 . . . . 15.0 109.932 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -73.94 -51.06 17.26 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.255 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.678 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 72.5 t90 -57.66 -60.62 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.564 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.531 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.0 m-85 -47.36 -56.02 7.7 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.769 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -36.04 -61.89 0.75 Allowed Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.14 -0.482 . . . . 15.0 113.89 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -64.89 -23.2 67.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.797 0.665 . . . . 15.0 112.797 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.616 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.7 mmmt -59.93 -49.37 77.94 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.028 0.381 . . . . 15.0 112.028 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.4 ptt-85 -65.02 -42.72 94.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.549 -0.537 . . . . 15.0 109.549 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.746 HG22 ' HE2' ' P' ' 58' ' ' LYS . 15.2 mm -55.4 -58.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.407 -0.961 . . . . 15.0 108.407 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.683 ' HG3' ' HZ ' ' P' ' 63' ' ' PHE . 10.7 tpt180 -53.18 -37.14 61.65 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.792 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.717 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.2 OUTLIER -49.17 -60.42 2.81 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.378 0.609 . . . . 15.0 110.657 178.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 74.3 mmtt -48.86 -20.37 0.49 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.141 -0.936 . . . . 15.0 113.477 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.746 ' HE2' HG22 ' P' ' 54' ' ' ILE . 2.6 mptp? -75.37 -39.13 59.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.241 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.7 m-20 -135.71 42.75 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.069 0.766 . . . . 15.0 113.069 -178.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.542 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 47.7 mm -14.21 -71.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 115.274 1.583 . . . . 15.0 115.274 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.38 -24.4 51.87 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 116.043 -0.526 . . . . 15.0 114.117 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' P' ' 59' ' ' ASN . 63.2 tttp -65.09 -42.07 94.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.01 0.433 . . . . 15.0 110.015 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.717 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 37.6 m-85 -77.27 -24.93 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.935 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 64' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 81.8 mt-30 -55.22 -63.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.99 -47.15 65.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.584 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.0 mt-10 -54.93 -53.7 52.24 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.003 -0.74 . . . . 15.0 109.003 178.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.57 -44.38 6.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.011 -0.995 . . . . 15.0 110.368 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.984 0.421 . . . . 15.0 110.517 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.763 HG22 ' HE3' ' P' ' 73' ' ' LYS . 72.6 mt -65.95 -57.65 9.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.433 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.507 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 86.2 m-85 -66.08 -12.98 59.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.686 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.88 -59.01 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.98 0.419 . . . . 15.0 110.826 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.5 -34.13 73.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.852 -0.613 . . . . 15.0 112.247 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.763 ' HE3' HG22 ' P' ' 69' ' ' ILE . 19.9 ptpt -68.98 -169.28 0.17 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.581 0.229 . . . . 15.0 111.253 -179.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.528 HG22 ' O ' ' P' ' 73' ' ' LYS . 9.6 t 52.23 120.18 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.836 -0.62 . . . . 15.0 111.841 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 66.83 19.8 10.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 15.0 111.145 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 8.4 p -85.54 -33.32 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 79.3 p -146.0 61.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.208 -0.901 . . . . 15.0 111.136 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.609 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -0.985 0 C4'-C3'-C2' 104.924 1.724 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.766 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 107.9 1.636 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.766 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C3'-C2'-C1' 101.58 -0.8 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.634 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C5'-C4'-O4' 108.744 -0.41 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.634 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C4'-C3'-C2' 104.036 0.836 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.628 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 101.023 -1.198 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.978 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.532 0.804 0 O4'-C1'-C2' 107.516 1.287 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.978 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 P-O3'-C3' 120.662 0.801 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.755 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 C3'-C2'-C1' 99.413 -2.348 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.755 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.717 0 C3'-C2'-C1' 104.856 1.54 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.535 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 107.612 1.374 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.503 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.876 0.84 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.669 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.659 1.418 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.669 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 P-O3'-C3' 120.323 0.519 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.575 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.597 0 C3'-C2'-C1' 101.928 -0.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.575 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C5'-C4'-O4' 108.686 -0.447 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.508 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.288 1.08 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.707 H2'' HD12 ' P' ' 54' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 N19-C1'-C2' 115.535 0.834 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.487 ' H2 ' ' O2 ' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C3'-C2'-C1' 105.014 1.653 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.911 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.863 0 C3'-C2'-C1' 99.864 -2.025 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.911 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.537 1.145 0 C2'-C3'-O3' 114.777 1.547 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.733 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.405 -1.161 0 C4'-C3'-C2' 105.078 1.878 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.66 ' C8 ' ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.408 -0.902 0 C1'-O4'-C4' 107.77 -1.379 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.761 ' OP1' ' HB1' ' P' ' 1' ' ' ALA . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 100.54 -1.543 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.714 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C4'-C3' 104.174 -1.426 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.714 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.438 0.576 0 C3'-C2'-C1' 105.149 1.749 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.636 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C4'-C3' 106.315 0.715 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.551 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.17 0.463 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 11.2 tmm? . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.814 0.34 . . . . 15.0 110.636 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.761 ' HB1' ' OP1' ' B' ' 24' ' ' ' DT' . . . -73.49 172.66 10.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.968 0.413 . . . . 15.0 111.314 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.572 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 91.4 mtt180 -51.42 -94.2 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.893 0.701 . . . . 15.0 112.893 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.545 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.2 OUTLIER -176.34 148.74 0.78 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.081 1.511 . . . . 15.0 115.081 -178.107 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.872 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER 179.95 -55.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.484 -0.78 . . . . 15.0 111.907 173.598 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.872 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 0.2 OUTLIER -149.21 143.17 25.74 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.249 0.547 . . . . 15.0 111.504 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 24.1 ptt85 148.19 -29.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.363 -1.289 . . . . 15.0 107.575 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.688 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 31.9 t30 -61.28 -95.66 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 113.9 -1.5 . . . . 15.0 110.779 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.938 ' CD2' HG21 ' P' ' 40' ' ' ILE . 15.0 m-85 -64.81 110.62 2.47 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.743 0.702 . . . . 15.0 109.833 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -69.21 174.23 4.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.456 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -18.3 21.99 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.999 -0.281 . . . . 15.0 111.538 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -76.29 -47.48 23.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 15.0 109.815 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.601 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.45 -45.4 91.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.589 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.494 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.7 p -53.54 -57.45 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.966 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' P' ' 18' ' ' GLU . 13.3 pt-20 -54.05 -39.34 66.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.385 0.612 . . . . 15.0 110.753 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' P' ' 38' ' ' SER . 83.4 mt -66.59 -55.95 16.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.214 -0.903 . . . . 15.0 112.109 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.586 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.9 mt -62.3 -48.02 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.42 0.526 . . . . 15.0 112.42 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' P' ' 13' ' ' THR . 19.4 p30 -60.73 -52.13 66.4 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.398 -0.521 . . . . 15.0 110.741 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' P' ' 14' ' ' GLU . 43.6 mm-40 -45.32 -34.61 3.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.862 0.363 . . . . 15.0 110.857 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.575 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.8 t80 -82.94 -40.92 19.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.467 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.663 ' CZ ' HD22 ' P' ' 23' A LEU . 3.4 t80 -48.25 -52.22 22.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 15.0 110.482 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.3 m-85 -56.19 2.43 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.501 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.492 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.7 m -107.03 -23.0 12.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.646 0.26 . . . . 15.0 110.323 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -130.2 42.05 3.32 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.945 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 23' A LEU . . . . . 0.663 HD22 ' CZ ' ' P' ' 20' ' ' PHE . 2.7 mt -45.39 -61.17 1.78 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.56 0.219 . . . . 15.0 111.471 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 52.8 m -58.26 -4.09 0.33 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 23' C ASN . . . . . . . . . . . . . 96.0 m-20 -141.59 73.13 24.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' P' ' 23' A LEU . 47.0 Cg_endo -67.53 55.84 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.022 2.481 . . . . 15.0 113.25 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.47 124.35 3.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.118 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.665 ' HG3' HG12 ' P' ' 45' ' ' VAL . 36.3 Cg_endo -60.14 -151.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.756 2.304 . . . . 15.0 111.807 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.956 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 44.5 t -144.06 172.4 12.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.289 -1.745 . . . . 15.0 106.289 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.6 mt-10 -52.52 -54.93 26.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.993 0.815 . . . . 15.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -70.78 -23.84 62.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.956 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -72.55 -53.77 11.05 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.752 0.311 . . . . 15.0 110.467 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.794 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.8 OUTLIER -61.51 -21.98 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.569 -0.452 . . . . 15.0 110.4 179.066 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.518 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 48.5 mt-10 -75.87 -59.51 2.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.74 -47.93 82.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 15.0 109.824 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.783 HD12 HG11 ' P' ' 45' ' ' VAL . 93.4 mt -54.55 -59.02 5.26 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.84 -32.12 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 15.0 112.417 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.77 -46.78 28.92 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.919 0.866 . . . . 15.0 109.325 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.428 ' C ' HD13 ' P' ' 15' ' ' ILE . 24.2 mtpp -66.13 -45.52 80.75 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.864 -1.517 . . . . 15.0 111.519 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.601 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 37.9 m -74.18 -51.06 16.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.369 -0.832 . . . . 15.0 112.148 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.2 20.33 6.34 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.938 HG21 ' CD2' ' P' ' 8' ' ' PHE . 16.8 pt -108.71 -162.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 15.0 109.417 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.509 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.1 t -121.5 145.0 48.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.794 HG13 ' HG3' ' P' ' 31' ' ' LYS . 22.1 t -27.23 -74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.77 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.448 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.4 m -43.2 -31.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.498 0.925 . . . . 15.0 113.498 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.509 ' OE1' HG22 ' P' ' 41' ' ' THR . 86.6 mt-30 -66.68 -35.99 81.45 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.364 -0.535 . . . . 15.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.844 HG22 HD11 ' P' ' 40' ' ' ILE . 54.9 t -61.33 -57.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.98 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -51.82 -54.42 29.06 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.348 0.594 . . . . 15.0 109.518 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -50.81 -50.91 55.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.924 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.6 ' CH2' ' HG2' ' P' ' 52' ' ' LYS . 73.0 t90 -57.35 -55.67 31.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.092 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.729 ' HA ' ' HD2' ' P' ' 52' ' ' LYS . 6.0 m-85 -47.47 -52.38 17.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.655 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.498 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -58.0 -37.2 84.52 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.121 -1.038 . . . . 15.0 112.89 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.475 ' O ' HG12 ' P' ' 54' ' ' ILE . 30.6 m120 -65.24 -77.96 0.06 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.116 0.784 . . . . 15.0 113.116 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.729 ' HD2' ' HA ' ' P' ' 49' ' ' PHE . 0.0 OUTLIER -41.14 -39.17 1.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.845 0.683 . . . . 15.0 112.845 -177.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.785 ' HD2' HD13 ' P' ' 54' ' ' ILE . 0.0 OUTLIER -53.37 -46.02 69.43 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 178.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 1.025 HG22 ' HE3' ' P' ' 58' ' ' LYS . 11.4 mm -53.19 -52.79 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.244 -0.434 . . . . 15.0 110.107 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' P' ' 52' ' ' LYS . 4.1 ptt-85 -53.81 -24.81 16.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.513 -0.475 . . . . 15.0 111.486 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.773 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -59.19 -60.01 4.54 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.745 ' HA ' HD11 ' P' ' 60' ' ' ILE . 74.5 mmtt -46.43 -15.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.372 0.878 . . . . 15.0 113.372 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 1.025 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.7 OUTLIER -81.63 -36.58 28.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.88 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' P' ' 62' ' ' LYS . 61.0 m-80 -136.5 37.89 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.666 0.617 . . . . 15.0 112.666 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' P' ' 57' ' ' LYS . 51.5 mm -13.71 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 115.046 1.498 . . . . 15.0 115.046 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.35 -25.85 27.84 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 116.188 -0.46 . . . . 15.0 113.623 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -68.03 -40.41 82.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.959 0.409 . . . . 15.0 110.389 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.773 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 39.3 m-85 -82.01 -23.49 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.948 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -56.72 -65.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.467 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.1 tt0 -53.07 -46.44 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.74 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.753 ' OE1' HD12 ' P' ' 69' ' ' ILE . 5.6 mm-40 -55.8 -53.66 54.03 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.25 -39.52 3.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.807 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -74.18 -33.69 63.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.015 0.436 . . . . 15.0 110.196 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.753 HD12 ' OE1' ' P' ' 66' ' ' GLU . 74.9 mt -68.85 -50.22 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.832 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.48 ' O ' ' HG2' ' P' ' 73' ' ' LYS . 13.4 m-85 -66.32 -47.55 73.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.253 0.549 . . . . 15.0 110.648 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.76 30.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.607 -0.724 . . . . 15.0 111.511 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.25 -32.47 72.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.483 0.92 . . . . 15.0 113.483 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.651 ' CE ' HG22 ' P' ' 69' ' ' ILE . 19.6 ptpt -68.66 -41.92 78.62 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.713 -0.395 . . . . 15.0 111.629 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.597 HG22 ' HG3' ' P' ' 73' ' ' LYS . 9.6 t -148.72 169.83 19.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.884 0.373 . . . . 15.0 111.174 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 70.31 9.49 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.386 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.405 HG13 ' O ' ' P' ' 76' ' ' VAL . 11.4 p -86.26 126.97 40.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.774 0.321 . . . . 15.0 111.031 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -146.15 127.02 14.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.273 -0.87 . . . . 15.0 111.1 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.563 ' H22' ' H42' ' B' ' 28' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.895 0 C4'-C3'-C2' 104.984 1.784 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.911 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.873 1.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.911 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C4'-C3'-C2' 104.703 1.503 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.546 " O5'" ' H6 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.168 0.971 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.538 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C3'-C2'-C1' 101.369 -0.95 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.778 H2'' ' OP2' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C2'-C3'-O3' 113.704 1.15 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.843 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.531 0.705 0 C3'-C2'-C1' 105.057 1.683 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.843 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 C4'-C3'-C2' 101.697 -1.503 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.812 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.893 0 C3'-C2'-C1' 99.459 -2.315 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.812 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.599 0 N19-C1'-C2' 111.949 -1.407 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.548 " H5'" " H1'" ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 107.455 1.232 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.503 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C1'-O4'-C4' 110.821 0.8 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.662 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 104.885 1.561 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.662 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C5'-C4'-O4' 108.58 -0.513 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.512 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O5'-C5'-C4' 110.932 0.523 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.537 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C3'-C2'-C1' 102.046 -0.467 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.537 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.532 0.806 0 O4'-C1'-C2' 107.34 1.128 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.731 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 N19-C1'-C2' 115.421 0.763 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.731 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C3'-C2'-C1' 101.496 -0.86 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.825 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.078 0 C3'-C2'-C1' 98.855 -2.747 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.825 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.43 0.794 0 C4'-C3'-C2' 100.39 -2.81 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.552 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.407 -1.006 0 C1'-O4'-C4' 106.785 -2.082 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.827 " C2'" ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C1'-O4'-C4' 107.718 -1.416 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.827 ' H72' " C2'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.864 0 C3'-C2'-C1' 100.014 -1.919 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.705 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.521 -0.677 0 C2'-C3'-O3' 113.297 0.999 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.755 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.56 0 C3'-C2'-C1' 105.158 1.756 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.643 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C4'-C3' 106.378 0.778 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.563 ' H42' ' H22' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C3'-C2'-C1' 102.053 -0.462 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 0' ' ' MET . . . . . 0.508 ' HE2' " O3'" ' A' ' 9' ' ' ' DT' . 47.8 ttp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.855 0.359 . . . . 15.0 111.117 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.525 ' O ' ' NE ' ' P' ' 3' ' ' ARG . . . -167.05 -29.46 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.193 -0.458 . . . . 15.0 111.785 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.56 ' HD2' " O3'" ' B' ' 23' ' ' ' DA' . 4.5 mmt-85 -48.36 89.37 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.92 -178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.587 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -158.67 133.4 8.19 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.718 0.636 . . . . 15.0 112.718 -178.762 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.704 ' CB ' ' H2 ' ' B' ' 23' ' ' ' DA' . 0.0 OUTLIER -178.54 -28.14 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.958 1.095 . . . . 15.0 113.958 176.665 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.646 ' CG ' ' HD2' ' P' ' 4' ' ' LYS . 21.2 mtt-85 -147.86 -155.7 0.65 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.552 0.614 . . . . 15.0 111.812 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.608 ' CG ' ' O ' ' P' ' 5' ' ' ARG . 31.5 ptt85 57.09 -31.82 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.089 0.956 . . . . 15.0 112.33 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.639 ' H ' ' C ' ' P' ' 5' ' ' ARG . 6.4 t-20 -55.01 -90.05 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.68 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' P' ' 40' ' ' ILE . 2.6 m-30 -81.72 120.25 24.89 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.699 -0.482 . . . . 15.0 109.699 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 9' ' ' ASN . . . . . 0.635 ' O ' HG23 ' P' ' 13' ' ' THR . 41.0 t30 -72.95 173.34 9.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.167 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' P' ' 10' ' ' LYS . 12.9 mptt -55.73 -30.2 60.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.782 0.325 . . . . 15.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -65.77 -51.05 62.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.38 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.599 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.599 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.635 HG23 ' O ' ' P' ' 9' ' ' ASN . 44.5 p -57.09 -56.02 27.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.1 pt-20 -55.22 -42.92 73.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.467 0.651 . . . . 15.0 110.547 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.499 HG23 ' HE3' ' P' ' 37' ' ' LYS . 75.6 mt -64.09 -56.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.038 -0.983 . . . . 15.0 111.804 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.739 HD11 HD13 ' P' ' 40' ' ' ILE . 80.1 mt -63.19 -47.31 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 15.0 112.813 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -60.64 -52.93 63.06 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.056 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 45.9 mt-10 -44.01 -44.97 7.66 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.719 0.295 . . . . 15.0 111.308 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.482 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -71.57 -40.25 70.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 15.0 110.393 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.612 ' CE1' HD21 ' P' ' 23' A LEU . 1.3 t80 -51.71 -48.74 63.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.728 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -62.77 8.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.302 0.482 . . . . 15.0 112.302 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.485 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.7 t -105.83 -24.92 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 15.0 110.571 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' P' ' 23' C ASN . 3.7 m-70 -127.93 38.67 3.98 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.134 -0.485 . . . . 15.0 111.053 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 23' A LEU . . . . . 0.743 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -42.46 -62.09 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 46.6 t -58.73 -10.85 2.58 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.933 0.346 . . . . 15.0 111.933 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 23' C ASN . . . . . 0.55 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 75.2 m-80 -150.74 69.7 8.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.743 ' HD3' ' O ' ' P' ' 23' A LEU . 58.9 Cg_endo -81.16 54.1 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.876 2.384 . . . . 15.0 114.028 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.596 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.0 p90 -129.45 110.6 17.75 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 177.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.836 ' HG3' HG12 ' P' ' 45' ' ' VAL . 3.3 Cg_endo -46.36 -151.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.257 2.638 . . . . 15.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.912 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 53.5 m -154.73 176.93 11.83 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.138 -1.43 . . . . 15.0 107.138 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -53.13 -53.08 55.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.078 -0.649 . . . . 15.0 110.464 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 29' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 12.4 pt-20 -73.17 -26.03 61.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.815 0.302 . . . . 15.0 111.815 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.912 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -66.94 -52.07 47.47 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.86 ' CB ' HG13 ' P' ' 42' ' ' VAL . 12.2 mttt -55.17 -30.54 60.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.496 178.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' P' ' 36' ' ' LYS . 54.9 mt-10 -71.67 -59.49 2.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.747 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 23.9 pt-20 -57.73 -50.49 73.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.32 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.777 HD12 HG11 ' P' ' 45' ' ' VAL . 96.6 mt -58.29 -61.29 2.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 15.0 111.44 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' P' ' 40' ' ' ILE . . . -56.29 -30.52 62.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.834 0.679 . . . . 15.0 112.834 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.524 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.2 OUTLIER -75.95 -46.36 30.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.984 0.897 . . . . 15.0 109.307 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.499 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.4 mtpp -66.55 -48.14 70.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 113.804 -1.544 . . . . 15.0 111.328 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.599 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 50.3 m -75.5 -52.95 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.25 -0.887 . . . . 15.0 112.507 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.13 19.01 6.06 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.835 -0.697 . . . . 15.0 111.842 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.754 HD11 HG22 ' P' ' 45' ' ' VAL . 6.0 pt -103.15 -166.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.842 -0.429 . . . . 15.0 109.842 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.555 ' O ' ' N ' ' P' ' 44' ' ' GLN . 7.9 t -116.85 134.4 54.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.618 -0.882 . . . . 15.0 108.618 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.86 HG13 ' CB ' ' P' ' 31' ' ' LYS . 42.9 t -21.41 -77.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.105 0.409 . . . . 15.0 112.105 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 52.0 m -43.72 -28.33 0.4 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.835 0.68 . . . . 15.0 112.835 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' P' ' 41' ' ' THR . 3.4 tp60 -67.0 -37.43 84.18 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.294 0.569 . . . . 15.0 110.015 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.836 HG12 ' HG3' ' P' ' 26' ' ' PRO . 62.1 t -61.22 -57.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.394 -0.821 . . . . 15.0 111.029 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 46' ' ' SER . . . . . 0.406 ' HB3' ' HE2' ' P' ' 31' ' ' LYS . 77.5 p -54.52 -28.12 43.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.498 0.666 . . . . 15.0 109.901 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -73.5 -51.38 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.793 -1.094 . . . . 15.0 108.751 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 63.1 t90 -57.59 -59.16 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.805 -1.089 . . . . 15.0 111.258 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.707 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -47.99 -55.52 9.84 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.819 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.441 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -41.2 -50.85 4.42 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.987 -0.625 . . . . 15.0 113.301 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.46 ' OD1' ' N7 ' ' A' ' 8' ' ' ' DA' . 1.2 t-20 -64.19 -35.37 80.59 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.741 0.275 . . . . 15.0 111.741 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.573 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.0 mmmm -52.28 -47.88 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.284 0.476 . . . . 15.0 112.284 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.668 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 6.1 ptm180 -61.99 -43.16 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.078 -0.712 . . . . 15.0 109.078 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.856 HG22 ' HE2' ' P' ' 58' ' ' LYS . 13.7 mm -55.03 -58.11 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.408 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 56.0 ttt-85 -52.46 -33.33 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.815 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.671 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.8 t80 -55.61 -60.42 3.45 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.207 0.527 . . . . 15.0 110.437 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.528 ' HA ' HD11 ' P' ' 60' ' ' ILE . 75.1 mmtt -47.54 -18.13 0.12 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.763 1.023 . . . . 15.0 113.763 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.856 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.0 mptp? -74.45 -37.83 63.14 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.979 0.418 . . . . 15.0 110.319 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' P' ' 62' ' ' LYS . 44.0 m-20 -140.93 44.25 1.81 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.893 0.701 . . . . 15.0 112.893 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' P' ' 57' ' ' LYS . 47.8 mm -13.88 -69.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 114.977 1.473 . . . . 15.0 114.977 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.05 -26.03 47.94 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 113.786 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.1 tmtm? -68.33 -41.64 80.49 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.671 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 35.7 m-85 -78.17 -27.76 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.892 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 64' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.8 mt-30 -53.66 -62.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.302 -0.629 . . . . 15.0 109.302 179.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.47 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -51.82 -46.61 64.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.59 179.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -55.97 -51.92 65.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.739 -0.837 . . . . 15.0 108.739 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.66 -44.27 6.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.647 -1.161 . . . . 15.0 110.612 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -75.58 -31.49 59.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.654 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.47 HG13 ' O ' ' P' ' 65' ' ' GLU . 95.5 mt -66.9 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.966 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.413 ' HA ' ' HD3' ' P' ' 73' ' ' LYS . 59.4 m-85 -66.27 -32.59 74.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.61 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.9 -57.05 14.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 15.0 111.079 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.09 -23.17 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 15.0 111.895 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 8.0 mtpm? -68.91 86.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 15.0 110.928 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' P' ' 75' ' ' ALA . 8.3 t -149.6 128.27 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.666 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 70.27 14.58 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.306 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.496 ' O ' HG22 ' P' ' 77' ' ' THR . 9.7 p -85.08 147.62 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.484 -0.326 . . . . 15.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 77' ' ' THR . . . . . 0.496 HG22 ' O ' ' P' ' 76' ' ' VAL . 8.9 t 47.83 -171.2 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 15.0 111.045 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.588 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.956 0 C4'-C3'-C2' 104.849 1.649 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.718 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.849 1.59 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.718 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C3'-C2'-C1' 101.622 -0.77 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.689 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C3'-C2'-C1' 101.824 -0.626 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.689 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 103.696 0.496 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.585 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 100.85 -1.321 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 1.037 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 105.253 1.823 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 1.037 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.384 1.167 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 1.11 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.509 -0.898 0 C3'-C2'-C1' 99.56 -2.243 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 1.11 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.529 0.542 0 N19-C1'-C2' 111.457 -1.714 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.497 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 104.405 1.205 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.497 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 107.099 0.908 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.704 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-C1' 104.674 1.41 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.704 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 P-O3'-C3' 120.391 0.576 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.517 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O5'-C5'-C4' 110.931 0.522 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.517 ' N3 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.163 -0.384 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.512 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.265 1.059 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.533 H2'' ' OP2' ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C3'-C2'-C1' 101.632 -0.763 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.58 ' H8 ' HD12 ' P' ' 54' ' ' ILE . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C2'-C3'-O3' 112.325 0.639 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 1.037 H2'' ' H71' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 98.397 -3.074 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 1.037 ' H71' H2'' ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.516 -1.204 0 C4'-C3'-C2' 99.84 -3.36 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.858 H2'' " O5'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.44 -0.555 0 O4'-C1'-C2' 108.12 1.836 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.858 " O5'" H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 N19-C1'-C2' 115.928 1.08 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 1.032 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.505 -1.117 0 O4'-C1'-N19 109.423 2.028 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.75 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 102.207 -0.993 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.765 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.438 0.51 0 C3'-C2'-C1' 104.846 1.533 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.712 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 106.255 0.655 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.5 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C3'-C2'-C1' 101.984 -0.512 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.742 0.306 . . . . 15.0 110.668 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.586 ' HB3' " H3'" ' B' ' 24' ' ' ' DT' . . . -166.25 -157.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 15.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.54 ' N ' H5'' ' B' ' 24' ' ' ' DT' . 65.2 mtt85 -47.69 -87.02 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.172 0.434 . . . . 15.0 112.172 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.532 ' HG3' " H1'" ' A' ' 8' ' ' ' DA' . 0.1 OUTLIER -167.25 153.94 8.36 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.118 0.785 . . . . 15.0 113.118 -178.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 1.032 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.36 -60.12 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.011 -0.54 . . . . 15.0 111.836 176.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.919 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 78.2 mtp180 -170.97 171.21 5.99 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.09 -0.707 . . . . 15.0 109.09 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.572 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 18.8 ptt85 132.17 -31.87 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.242 1.017 . . . . 15.0 109.162 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.578 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 40.3 t30 -60.24 -91.76 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.761 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.755 ' CD2' HG21 ' P' ' 40' ' ' ILE . 1.0 OUTLIER -72.98 112.35 8.93 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.986 -0.446 . . . . 15.0 111.578 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -74.78 -176.82 2.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.206 -0.452 . . . . 15.0 109.889 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -56.51 -37.3 70.24 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.837 0.351 . . . . 15.0 111.309 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.2 tp-100 -56.25 -50.61 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.219 0.533 . . . . 15.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -64.82 -46.1 83.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.746 -0.661 . . . . 15.0 111.666 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.2 p -56.09 -53.67 54.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.979 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.546 ' HA ' ' ND2' ' P' ' 17' ' ' ASN . 14.8 pt-20 -55.67 -40.47 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 15.0 110.695 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.483 HD12 ' O ' ' P' ' 11' ' ' GLN . 47.7 mt -72.42 -56.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.633 HD22 ' HE1' ' P' ' 49' ' ' PHE . 70.3 mt -57.83 -40.01 79.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.252 0.464 . . . . 15.0 112.252 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.546 ' ND2' ' HA ' ' P' ' 14' ' ' GLU . 3.8 p30 -60.37 -54.57 44.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.753 -0.379 . . . . 15.0 111.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 50.7 mm-40 -42.75 -49.51 5.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 15.0 111.727 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.562 ' CD2' HD11 ' P' ' 34' ' ' LEU . 7.9 t80 -73.54 -34.57 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.58 ' CE2' HD21 ' P' ' 23' A LEU . 36.5 t80 -55.54 -48.5 74.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 15.0 111.66 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' P' ' 67' ' ' ALA . 58.6 m-85 -66.9 14.53 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.917 0.34 . . . . 15.0 111.917 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.502 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.6 t -112.68 -24.5 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 15.0 110.208 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' P' ' 23' C ASN . 2.6 m-70 -122.91 34.48 5.12 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.074 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 23' A LEU . . . . . 0.58 HD21 ' CE2' ' P' ' 20' ' ' PHE . 0.8 OUTLIER -45.63 -58.62 3.29 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.042 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -57.84 -9.71 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.692 0.282 . . . . 15.0 111.381 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 23' C ASN . . . . . 0.431 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 74.6 m-80 -142.51 70.19 21.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 15.0 108.457 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.639 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 31.4 Cg_exo -63.38 56.15 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.723 2.949 . . . . 15.0 113.979 -177.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.532 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.6 p90 -154.75 120.32 2.66 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.581 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.707 ' HG3' HG12 ' P' ' 45' ' ' VAL . 10.1 Cg_endo -49.95 -150.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.242 2.628 . . . . 15.0 112.409 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.965 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 45.1 t -147.78 169.48 19.66 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.153 -1.795 . . . . 15.0 106.153 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -49.96 -53.83 23.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 118.887 0.767 . . . . 15.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.0 -31.18 69.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.559 -0.292 . . . . 15.0 110.646 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.965 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -64.64 -55.46 20.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 15.0 110.754 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.739 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.08 -24.57 63.03 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.121 -0.632 . . . . 15.0 110.392 178.762 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.519 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 51.3 mt-10 -75.86 -60.53 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 15.0 109.923 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.08 -48.61 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.954 -0.388 . . . . 15.0 109.954 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.653 HD12 HG11 ' P' ' 45' ' ' VAL . 95.7 mt -55.26 -61.86 2.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.712 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.424 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.19 -30.77 28.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 15.0 111.845 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.521 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.04 -45.02 36.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.978 0.894 . . . . 15.0 109.495 179.163 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.452 ' HE2' HG23 ' P' ' 15' ' ' ILE . 50.4 mtpt -67.44 -48.03 68.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.923 -1.49 . . . . 15.0 111.962 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.6 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 4.6 p -74.12 -50.33 19.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.579 -0.737 . . . . 15.0 112.104 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.65 22.33 5.44 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.242 -0.743 . . . . 15.0 111.242 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.953 HD11 HG22 ' P' ' 45' ' ' VAL . 21.0 pt -109.08 -162.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.553 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -121.72 145.49 47.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.739 HG13 ' HG3' ' P' ' 31' ' ' LYS . 17.5 t -27.29 -74.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.551 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.437 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.2 m -43.05 -32.56 0.69 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.437 0.902 . . . . 15.0 113.437 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.553 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.5 mm-40 -66.44 -38.13 86.72 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.519 -0.472 . . . . 15.0 110.308 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.953 HG22 HD11 ' P' ' 40' ' ' ILE . 66.1 t -57.51 -55.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.291 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -54.98 -27.27 42.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.159 0.505 . . . . 15.0 110.332 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 47' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 50.2 t-20 -73.56 -51.46 16.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.29 178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.49 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 53.7 t90 -57.12 -59.66 4.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.432 -0.803 . . . . 15.0 110.784 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.633 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.3 m-85 -48.31 -57.39 6.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.952 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.577 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.72 -35.45 7.63 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.672 -0.775 . . . . 15.0 112.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -73.35 -34.1 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 15.0 111.202 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' P' ' 20' ' ' PHE . 4.7 mmmp? -55.25 -47.27 75.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.419 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.7 ' NH1' HD11 ' P' ' 54' ' ' ILE . 17.1 ptt85 -61.91 -43.99 97.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.195 0.522 . . . . 15.0 110.102 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.857 HG22 ' HE3' ' P' ' 58' ' ' LYS . 28.7 mm -56.57 -69.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.865 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.483 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 15.5 ttp-105 -49.38 -28.52 5.12 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.783 0.325 . . . . 15.0 111.049 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.726 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.1 OUTLIER -57.95 -62.75 1.59 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.205 0.526 . . . . 15.0 110.096 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.674 ' HE2' ' HA ' ' P' ' 57' ' ' LYS . 9.6 mmpt? -45.78 -18.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.395 0.887 . . . . 15.0 113.395 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.857 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -79.92 -38.34 32.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.318 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' P' ' 62' ' ' LYS . 51.5 m-20 -134.94 41.14 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.584 HG23 ' HE1' ' P' ' 56' ' ' TYR . 28.2 mm -13.79 -72.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 114.779 1.4 . . . . 15.0 114.779 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.86 -24.22 13.03 Favored Glycine 0 C--N 1.336 0.583 0 CA-C-N 116.108 -0.496 . . . . 15.0 113.972 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 4.0 ttmp? -70.15 -36.85 75.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.952 0.406 . . . . 15.0 110.036 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 36.1 m-85 -83.09 -21.04 33.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.68 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.07 -68.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.779 -0.823 . . . . 15.0 108.779 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.458 ' O ' HG13 ' P' ' 69' ' ' ILE . 6.3 mp0 -51.18 -43.42 61.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.646 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 5.5 mm-40 -58.04 -53.01 63.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.453 0.644 . . . . 15.0 109.579 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.431 ' HA ' ' CD1' ' P' ' 21' ' ' TYR . . . -43.74 -44.1 6.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.943 -1.026 . . . . 15.0 111.111 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -80.75 -26.1 37.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.632 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' P' ' 73' ' ' LYS . 35.5 mt -67.31 -58.05 7.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.576 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.471 ' HA ' ' HE3' ' P' ' 73' ' ' LYS . 85.6 m-85 -65.42 -38.27 89.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.923 -178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.82 -54.48 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.545 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.54 4.37 1.07 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.491 0.923 . . . . 15.0 113.491 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.58 ' O ' HG12 ' P' ' 76' ' ' VAL . 8.5 mtmp? -87.72 23.61 1.94 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 118.153 0.433 . . . . 15.0 111.704 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' P' ' 75' ' ' ALA . 8.8 t -90.77 130.17 36.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 15.0 110.603 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 67.0 18.07 10.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.069 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.58 HG12 ' O ' ' P' ' 73' ' ' LYS . 7.9 p -85.38 -31.95 7.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 15.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 77' ' ' THR . . . . . 0.497 HG23 HG13 ' P' ' 76' ' ' VAL . 71.4 p -93.67 -40.99 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.248 -0.882 . . . . 15.0 111.193 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.588 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.885 0 C4'-C3'-C2' 104.902 1.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.588 ' C5 ' " H1'" ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C3'-C2'-C1' 105.154 1.753 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.645 ' N2 ' ' N3 ' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.908 0 C4'-C3'-C2' 104.975 1.775 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.65 H2'' " O5'" ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.486 1.26 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.65 " O5'" H2'' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C3'-C2'-C1' 101.293 -1.005 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.483 ' H72' " H2'" ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C3'-C2'-C1' 100.961 -1.242 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.521 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-C2' 104.365 1.165 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.613 " O4'" ' HG2' ' P' ' 3' ' ' ARG . . . . . . . . 0 O5'--C5' 1.423 -1.068 0 C5'-C4'-O4' 108.273 -0.704 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.71 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 C3'-C2'-C1' 99.409 -2.351 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.71 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.752 0 C3'-C2'-C1' 104.923 1.588 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.56 " H5'" " H1'" ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.522 1.292 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.536 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C1'-O4'-C4' 110.503 0.574 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.55 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.611 1.374 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.55 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C4'-C3'-C2' 103.971 0.771 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.442 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 O5'-C5'-C4' 110.912 0.509 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.545 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 102.042 -0.47 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.545 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.385 1.168 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.603 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 N19-C1'-C2' 115.785 0.991 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.603 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.755 0 C4'-C3'-C2' 104.824 1.624 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.962 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.2 0 C3'-C2'-C1' 98.895 -2.718 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.962 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.445 1.101 0 C2'-C3'-O3' 114.701 1.519 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.678 H2'' " O4'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.435 -0.981 0 C3'-C2'-C1' 105.075 1.696 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.806 " C2'" ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 108.666 1.082 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.806 ' H72' " C2'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 C3'-C2'-C1' 100.305 -1.71 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.742 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C2'-C3'-O3' 113.064 0.913 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.777 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.438 0.567 0 C3'-C2'-C1' 104.964 1.617 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.695 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 O4'-C4'-C3' 106.282 0.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.533 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 101.971 -0.52 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 93.5 mmm . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.873 0.368 . . . . 15.0 111.312 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.641 ' O ' ' HD3' ' P' ' 3' ' ' ARG . . . -167.83 -24.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.792 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.584 ' HA ' " O3'" ' B' ' 23' ' ' ' DA' . 10.0 mmt85 -61.99 82.47 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.891 0 O-C-N 122.121 -0.362 . . . . 15.0 110.788 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.641 ' HD3' ' O ' ' P' ' 1' ' ' ALA . 0.0 OUTLIER -171.01 145.72 2.34 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.899 0.703 . . . . 15.0 112.899 -178.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.85 ' HD2' ' HB2' ' P' ' 5' ' ' ARG . 0.0 OUTLIER -178.52 -40.34 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.895 0.702 . . . . 15.0 112.895 176.006 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.85 ' HB2' ' HD2' ' P' ' 4' ' ' LYS . 4.4 mtt-85 -148.58 141.77 25.03 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.437 0.532 . . . . 15.0 112.437 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 13.4 ptm180 139.21 -24.23 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.372 -1.286 . . . . 15.0 109.075 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' P' ' 8' ' ' PHE . 36.0 t30 -70.77 -97.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.932 -1.031 . . . . 15.0 112.468 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.955 ' CD1' HG21 ' P' ' 40' ' ' ILE . 51.2 m-85 -59.1 110.05 0.97 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 118.372 0.533 . . . . 15.0 111.346 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 9' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.8 t-20 -66.22 165.92 12.94 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.444 -0.798 . . . . 15.0 111.188 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.498 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 31.5 mmmt -53.64 -24.8 15.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.077 0.465 . . . . 15.0 110.795 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 13.0 tp-100 -72.1 -47.56 50.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.488 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.615 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.21 -44.54 95.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 15.0 111.946 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.488 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 65.2 p -54.79 -56.32 20.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.911 -0.586 . . . . 15.0 112.055 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 16.6 pt-20 -54.39 -39.77 67.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.376 0.607 . . . . 15.0 110.847 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' P' ' 38' ' ' SER . 76.2 mt -67.05 -56.47 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.129 -0.941 . . . . 15.0 112.387 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.57 HD22 ' HE1' ' P' ' 49' ' ' PHE . 78.0 mt -60.72 -47.48 86.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.57 0.582 . . . . 15.0 112.57 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.493 ' HB2' ' CE2' ' P' ' 21' ' ' TYR . 23.5 p30 -60.98 -52.26 65.77 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.511 -0.475 . . . . 15.0 111.331 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.548 ' HB3' HG21 ' P' ' 74' ' ' THR . 46.3 mt-10 -46.52 -38.25 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 15.0 110.952 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.518 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.8 t80 -78.38 -41.98 31.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.041 0.448 . . . . 15.0 110.191 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' P' ' 52' ' ' LYS . 30.7 t80 -49.88 -51.28 41.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.004 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.529 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 63.3 m-85 -58.52 7.0 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.572 0.582 . . . . 15.0 112.572 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.522 ' H ' ' C ' ' P' ' 20' ' ' PHE . 48.8 m -109.94 -22.63 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 15.0 110.511 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' P' ' 23' C ASN . 3.6 m-70 -126.44 37.6 4.28 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.342 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 23' A LEU . . . . . 0.606 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.3 -61.97 1.45 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.937 0.347 . . . . 15.0 111.937 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 55.7 m -58.66 -12.9 4.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.049 0.388 . . . . 15.0 112.049 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 23' C ASN . . . . . 0.46 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 16.4 p30 -153.36 67.18 6.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.645 -0.502 . . . . 15.0 109.645 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.708 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 15.8 Cg_exo -70.11 65.46 2.0 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.276 2.651 . . . . 15.0 112.786 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.622 ' O ' ' O ' ' P' ' 26' ' ' PRO . 0.2 OUTLIER -130.04 106.21 16.55 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.862 -0.608 . . . . 15.0 109.835 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.622 ' O ' ' O ' ' P' ' 25' ' ' TYR . 10.2 Cg_endo -49.64 -150.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.389 2.06 . . . . 15.0 111.179 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 27' ' ' SER . . . . . 1.018 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 56.0 m -159.55 168.41 26.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.564 -1.643 . . . . 15.0 106.564 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -46.86 -51.59 16.31 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.156 -0.618 . . . . 15.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -69.76 -34.72 74.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.479 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 1.018 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.79 -58.15 7.71 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 121.288 -0.165 . . . . 15.0 110.874 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.615 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -57.81 -24.0 55.26 Favored 'General case' 0 N--CA 1.461 0.079 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.082 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.499 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 39.5 mt-10 -75.82 -59.12 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.485 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.56 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.21 -50.7 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.192 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.802 HD12 HG11 ' P' ' 45' ' ' VAL . 97.3 mt -53.49 -60.92 2.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.985 0.421 . . . . 15.0 110.349 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.425 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.88 -31.34 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.588 . . . . 15.0 112.259 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.529 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.4 OUTLIER -76.09 -46.14 30.46 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.98 0.895 . . . . 15.0 109.54 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.442 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.8 mtpp -67.63 -45.46 75.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.871 -1.513 . . . . 15.0 111.598 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.615 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.4 m -73.9 -52.16 13.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.313 -0.858 . . . . 15.0 112.177 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 18.76 6.02 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.144 -0.782 . . . . 15.0 111.144 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.955 HG21 ' CD1' ' P' ' 8' ' ' PHE . 18.2 pt -108.93 -161.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.56 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.3 t -121.8 146.2 47.31 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.462 -0.94 . . . . 15.0 108.462 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.615 HG13 ' CB ' ' P' ' 31' ' ' LYS . 5.1 t -28.04 -74.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 123.352 0.408 . . . . 15.0 111.681 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.55 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.2 m -42.65 -32.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.509 0.929 . . . . 15.0 113.509 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.56 ' OE1' HG22 ' P' ' 41' ' ' THR . 86.7 mt-30 -66.85 -34.25 77.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.317 -0.553 . . . . 15.0 110.367 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.802 HG11 HD12 ' P' ' 34' ' ' LEU . 58.6 t -62.45 -58.4 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.561 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -53.22 -27.26 21.05 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.333 0.587 . . . . 15.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -73.8 -50.91 18.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.237 -0.892 . . . . 15.0 109.258 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.475 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 79.1 t90 -57.61 -58.26 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.433 -0.803 . . . . 15.0 111.02 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.57 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.3 m-85 -48.38 -58.41 4.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.612 -0.722 . . . . 15.0 111.674 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -39.19 -56.73 2.23 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.157 -0.544 . . . . 15.0 113.578 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.449 ' ND2' ' N7 ' ' A' ' 8' ' ' ' DA' . 52.1 m-20 -69.33 -23.19 63.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.577 0.227 . . . . 15.0 111.508 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' P' ' 20' ' ' PHE . 0.4 OUTLIER -60.19 -45.24 93.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -179.048 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.708 ' HB3' ' HG2' ' P' ' 24' ' ' PRO . 8.6 ptm180 -68.49 -42.2 78.96 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.638 -0.505 . . . . 15.0 109.638 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.978 HG22 ' HE3' ' P' ' 58' ' ' LYS . 18.2 mm -54.4 -51.92 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.203 -1.036 . . . . 15.0 108.203 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' P' ' 55' ' ' ARG . 0.2 OUTLIER -53.3 -40.17 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.731 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.688 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -49.55 -60.21 3.07 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.925 -0.58 . . . . 15.0 111.127 179.475 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.601 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 60.8 mttt -52.27 -18.38 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.352 1.242 . . . . 15.0 114.352 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.978 ' HE3' HG22 ' P' ' 54' ' ' ILE . 1.1 mptm? -70.11 -38.04 75.5 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' P' ' 62' ' ' LYS . 2.5 m120 -139.01 45.34 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 15.0 112.881 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.601 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.8 mm -13.9 -71.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 115.109 1.522 . . . . 15.0 115.109 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.85 -23.77 23.82 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 116.094 -0.503 . . . . 15.0 113.981 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' P' ' 59' ' ' ASN . 60.9 tttm -71.22 -40.06 71.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.058 0.456 . . . . 15.0 110.257 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.637 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 38.5 m-85 -82.6 -23.89 34.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 15.0 111.685 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -64.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.423 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.7 tp10 -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.781 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 54.6 mt-10 -58.95 -52.76 64.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.281 -0.637 . . . . 15.0 109.281 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.745 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.8 -41.18 4.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.348 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -73.29 -39.17 65.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.016 0.436 . . . . 15.0 110.084 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.423 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.7 mt -59.16 -62.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.679 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.529 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.3 m-85 -66.48 -24.95 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 15.0 111.483 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -59.36 -56.96 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 15.0 111.352 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.15 -44.94 68.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 15.0 112.136 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.569 ' O ' HG22 ' P' ' 74' ' ' THR . 0.4 OUTLIER -68.96 -169.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.684 -0.235 . . . . 15.0 110.753 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.569 HG22 ' O ' ' P' ' 73' ' ' LYS . 8.8 t 52.53 121.1 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.289 0.566 . . . . 15.0 111.8 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 67.42 12.96 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.336 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.559 HG13 ' O ' ' P' ' 76' ' ' VAL . 10.5 p -86.08 112.42 22.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.368 -0.378 . . . . 15.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 95.0 m 62.89 -78.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.277 -0.868 . . . . 15.0 111.194 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.566 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.876 0 C4'-C3'-C2' 104.827 1.627 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.818 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.927 1.661 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.818 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-C1' 101.697 -0.717 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.592 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C4'-C3' 106.068 0.468 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.592 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.406 0.757 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.59 ' H72' " H2'" ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 101.296 -1.003 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.5 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.72 0.729 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.687 H2'' ' OP2' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-C2' 107.526 1.297 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.836 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 C3'-C2'-C1' 99.615 -2.204 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.836 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.75 0 C3'-C2'-C1' 104.697 1.426 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.521 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 104.72 1.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.521 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-C2' 106.968 0.789 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.685 " O4'" " H5'" ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 104.873 1.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.685 " H5'" " O4'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 P-O3'-C3' 120.326 0.522 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.593 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.553 0 O5'-C5'-C4' 110.845 0.461 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.621 " H1'" " O5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C1'-O4'-C4' 110.599 0.642 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.621 " O5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 OP1-P-O3' 109.737 0.73 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.832 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.183 -1.017 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.832 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 C3'-C2'-C1' 101.867 -0.595 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 1.0 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C4'-C3'-C2' 101.01 -2.19 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 1.0 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.443 0.951 0 C2'-C3'-O3' 114.524 1.453 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.705 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.851 0 C3'-C2'-C1' 105.247 1.819 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.747 " C2'" ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 101.383 -0.941 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.894 ' OP1' ' HB1' ' P' ' 1' ' ' ALA . . . . . . . . 0 C2'--C1' 1.506 -1.084 0 C3'-C2'-C1' 100.733 -1.405 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.733 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C4'-C3' 104.272 -1.328 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.8 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.524 0.58 0 C1'-O4'-C4' 107.456 -1.603 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.681 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-C1' 101.779 -0.658 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.5 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 102.082 -0.441 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.81 0.338 . . . . 15.0 111.14 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.894 ' HB1' ' OP1' ' B' ' 24' ' ' ' DT' . . . -166.82 171.3 11.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.071 0.463 . . . . 15.0 111.32 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.457 ' HB3' ' CZ ' ' P' ' 3' ' ' ARG . 98.3 mtt180 -54.48 -81.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 15.0 112.502 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.631 ' HG3' " H1'" ' A' ' 8' ' ' ' DA' . 0.1 OUTLIER -171.21 168.2 6.8 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.842 -0.343 . . . . 15.0 111.895 -178.446 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.882 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 2.5 tptm -171.8 -77.62 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 113.538 0.94 . . . . 15.0 113.538 178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.832 ' N ' ' HG3' ' P' ' 4' ' ' LYS . 38.5 ttt180 -172.97 15.99 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.005 0.743 . . . . 15.0 113.005 -171.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -81.05 -21.04 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.024 0.44 . . . . 15.0 111.013 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.46 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 51.6 t30 -55.36 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.045 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.886 ' CD2' HG21 ' P' ' 40' ' ' ILE . 12.1 m-85 -62.64 107.33 0.93 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 118.784 0.72 . . . . 15.0 111.17 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.58 175.76 3.94 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.866 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.473 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.2 OUTLIER -56.51 -21.38 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.334 . . . . 15.0 111.869 -179.375 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' P' ' 14' ' ' GLU . 49.8 tt0 -75.29 -48.17 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 15.0 110.558 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.646 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.23 -43.02 99.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.803 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -56.7 -55.07 38.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.582 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.437 ' HA ' HD21 ' P' ' 17' ' ' ASN . 0.1 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.288 0.566 . . . . 15.0 110.648 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' P' ' 38' ' ' SER . 97.5 mt -71.68 -55.77 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.868 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.646 HD22 ' HE1' ' P' ' 49' ' ' PHE . 74.1 mt -60.89 -43.62 98.24 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.485 ' HB2' ' CE2' ' P' ' 21' ' ' TYR . 17.4 p30 -60.39 -52.87 63.4 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.257 -0.577 . . . . 15.0 111.007 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 48.1 mt-10 -44.78 -36.65 3.32 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.85 0.357 . . . . 15.0 110.826 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.708 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -82.9 -37.45 24.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.395 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.636 ' CZ ' HD22 ' P' ' 23' A LEU . 27.8 t80 -51.83 -51.83 53.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.313 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 66.1 m-85 -58.0 6.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.771 -0.65 . . . . 15.0 112.675 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.505 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.9 t -110.62 -21.53 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 15.0 110.846 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' P' ' 23' C ASN . 3.3 m-70 -129.54 36.29 4.12 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.342 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 23' A LEU . . . . . 0.645 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 6.5 mt -45.89 -64.08 0.82 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.311 0.486 . . . . 15.0 112.311 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 54.1 m -60.8 -12.65 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.432 0.53 . . . . 15.0 112.432 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 23' C ASN . . . . . 0.533 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 0.5 OUTLIER -155.89 70.42 5.21 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.291 . . . . 15.0 110.578 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' O ' ' P' ' 23' A LEU . 73.4 Cg_endo -75.51 83.55 1.88 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.551 2.167 . . . . 15.0 112.879 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' P' ' 23' C ASN . 10.7 m-85 -132.19 82.69 57.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.844 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.778 ' HG3' HG12 ' P' ' 45' ' ' VAL . 61.0 Cg_endo -61.71 94.55 0.13 Allowed 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.955 2.436 . . . . 15.0 111.548 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.466 ' O ' ' O ' ' P' ' 26' ' ' PRO . 55.6 m -37.58 166.42 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.118 -0.946 . . . . 15.0 111.519 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 4.5 mm-40 -44.99 -45.34 10.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.602 -0.727 . . . . 15.0 110.694 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.79 -30.54 64.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.725 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.708 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -66.22 -56.2 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.371 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.898 ' HG3' HG13 ' P' ' 42' ' ' VAL . 2.5 ptmt -61.08 -23.45 65.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 15.0 110.16 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.514 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 86.3 mt-10 -75.59 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 15.0 109.202 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -57.85 -46.67 84.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.804 HD12 HG11 ' P' ' 45' ' ' VAL . 94.0 mt -55.26 -60.96 2.67 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.961 -0.563 . . . . 15.0 109.918 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.409 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.51 -31.01 44.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.686 . . . . 15.0 112.242 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.514 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.51 -46.62 31.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.92 0.867 . . . . 15.0 109.378 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.1 mtpp -66.05 -46.86 76.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 113.912 -1.495 . . . . 15.0 111.67 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.696 ' HA ' HD12 ' P' ' 15' ' ' ILE . 9.0 p -74.17 -51.79 14.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.182 -0.917 . . . . 15.0 112.549 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.04 6.46 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.206 -0.758 . . . . 15.0 111.206 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.886 HG21 ' CD2' ' P' ' 8' ' ' PHE . 19.0 pt -106.54 -163.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.535 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -120.66 141.93 49.93 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.898 HG13 ' HG3' ' P' ' 31' ' ' LYS . 28.9 t -23.72 -76.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 15.0 111.955 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.446 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.0 m -42.38 -30.26 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.473 0.916 . . . . 15.0 113.473 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.535 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 42.4 mm-40 -66.76 -35.95 81.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-O 121.106 0.479 . . . . 15.0 110.152 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.822 HG22 HD11 ' P' ' 40' ' ' ILE . 57.9 t -61.22 -58.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.514 . . . . 15.0 110.56 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -52.95 -29.02 26.39 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.38 0.61 . . . . 15.0 109.88 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -73.76 -51.82 15.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.049 -0.978 . . . . 15.0 109.355 178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 38.4 t90 -57.7 -60.23 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.187 -0.915 . . . . 15.0 111.241 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.646 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.4 m-85 -47.95 -56.62 7.19 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.435 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.534 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -43.25 -45.56 6.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.542 -0.837 . . . . 15.0 112.689 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -68.95 -26.65 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.489 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 3.3 mmmp? -60.23 -47.29 86.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 15.0 111.441 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.754 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 12.0 ptt85 -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 15.0 109.794 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.906 HG22 ' HE3' ' P' ' 58' ' ' LYS . 24.4 mm -55.53 -58.8 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.196 -0.668 . . . . 15.0 109.196 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.48 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 48.7 mmt-85 -49.49 -38.25 29.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.895 0.379 . . . . 15.0 111.052 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 1.018 ' O ' HD13 ' P' ' 60' ' ' ILE . 20.3 t80 -47.2 -60.66 2.33 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.274 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.759 ' HA ' HD11 ' P' ' 60' ' ' ILE . 69.3 mmtt -45.83 -23.28 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.906 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.3 OUTLIER -86.68 -40.29 15.23 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.224 0.453 . . . . 15.0 112.224 -178.617 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' P' ' 60' ' ' ILE . 62.2 m-20 -137.19 30.91 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.779 1.029 . . . . 15.0 113.779 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 1.018 HD13 ' O ' ' P' ' 56' ' ' TYR . 7.6 mm -13.5 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 114.583 1.327 . . . . 15.0 114.583 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.48 -20.17 3.57 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.49 -0.777 . . . . 15.0 114.562 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 63.7 tttm -75.58 -35.38 60.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.021 0.439 . . . . 15.0 110.144 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 4.5 m-30 -75.13 -32.35 61.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.232 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.18 -65.06 0.71 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.954 0.406 . . . . 15.0 110.444 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.92 -52.19 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.3 mm-40 -55.3 -54.39 44.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' P' ' 63' ' ' PHE . . . -42.99 -40.31 2.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.268 -0.878 . . . . 15.0 110.636 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.75 -35.08 78.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.179 0.514 . . . . 15.0 109.717 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' P' ' 66' ' ' GLU . 62.9 mt -71.15 -45.78 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.397 -0.82 . . . . 15.0 110.642 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.483 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 16.0 m-85 -75.54 -2.72 30.39 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.338 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.47 -57.71 2.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.145 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.37 72.06 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.425 0.528 . . . . 15.0 112.425 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 1.0 ' O ' HG22 ' P' ' 74' ' ' THR . 0.0 OUTLIER -69.01 -145.6 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 121.007 -0.277 . . . . 15.0 110.795 -179.264 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' P' P ' 74' ' ' THR . . . . . 1.0 HG22 ' O ' ' P' ' 73' ' ' LYS . 1.4 t 80.29 -25.35 0.18 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.385 0.674 . . . . 15.0 111.619 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.8 -3.65 51.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.661 0.267 . . . . 15.0 111.403 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.477 HG22 ' N ' ' P' ' 77' ' ' THR . 9.6 p -84.7 157.86 3.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.849 0.357 . . . . 15.0 111.182 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 77' ' ' THR . . . . . 0.477 ' N ' HG22 ' P' ' 76' ' ' VAL . 87.2 m 59.75 98.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.847 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.255 -0.878 . . . . 15.0 111.141 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.6 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.852 0 C4'-C3'-C2' 104.831 1.631 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.742 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.866 1.605 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.742 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 101.739 -0.686 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.626 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C5'-C4'-O4' 108.729 -0.419 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.626 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 103.899 0.699 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.677 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 100.317 -1.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.943 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 C3'-C2'-C1' 105.98 2.343 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.943 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.367 1.152 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.765 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.768 0 C3'-C2'-C1' 99.83 -2.05 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.765 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.828 0 C3'-C2'-C1' 104.666 1.404 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.543 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 107.545 1.313 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.543 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C1'-O4'-C4' 110.484 0.56 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.714 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.569 1.335 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.714 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 P-O3'-C3' 120.387 0.572 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.572 ' N2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 C3'-C2'-C1' 101.917 -0.559 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.572 ' N3 ' ' N2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 106.968 0.789 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.616 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.843 0 C4'-C3'-C2' 105.237 2.037 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.859 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C2'-C3'-O3' 113.919 1.229 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.859 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 P-O3'-C3' 120.572 0.727 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.969 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C4'-C3'-C2' 100.912 -2.288 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.969 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -1.035 0 C4'-C3'-C2' 100.591 -2.609 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.7 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.512 -0.646 0 C4'-C3'-C2' 105.086 1.886 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.7 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.035 0 C1'-O4'-C4' 107.254 -1.747 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.773 " O5'" ' HB1' ' P' ' 1' ' ' ALA . . . . . . . . 0 C2'--C1' 1.512 -0.663 0 C3'-C2'-C1' 100.519 -1.558 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.704 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C4'-C3' 103.897 -1.703 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.704 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.648 0 C3'-C2'-C1' 105.283 1.845 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.655 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C4'-C3'-C2' 104.115 0.915 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.543 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C3'-C2'-C1' 102.094 -0.433 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 0' ' ' MET . . . . . 0.572 ' O ' ' HB3' ' P' ' 1' ' ' ALA . 15.5 tpt . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.533 0.206 . . . . 15.0 111.19 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.773 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . 79.61 155.61 0.15 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.46 -0.336 . . . . 15.0 111.3 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.595 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 33.1 mtt-85 -51.68 -92.87 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.102 0.408 . . . . 15.0 112.102 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.543 ' O ' ' HB3' ' P' ' 4' ' ' LYS . 0.1 OUTLIER -176.44 145.86 0.59 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.731 1.011 . . . . 15.0 113.731 -178.729 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.855 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER -179.79 -52.9 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.651 0.612 . . . . 15.0 112.651 174.493 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.855 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 9.6 ptm180 -154.69 156.98 37.4 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.594 -0.442 . . . . 15.0 111.797 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 19.3 ptt85 136.89 -28.43 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.47 -1.241 . . . . 15.0 108.018 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -63.3 -92.33 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.353 -1.294 . . . . 15.0 111.81 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.874 ' CD1' HG21 ' P' ' 40' ' ' ILE . 33.9 m-85 -58.9 107.21 0.5 Allowed 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 121.978 -0.451 . . . . 15.0 111.472 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -68.19 171.7 6.72 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -55.78 -20.88 16.53 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 111.907 0.336 . . . . 15.0 111.907 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.601 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 38.1 tt0 -72.44 -47.39 49.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.187 0.518 . . . . 15.0 110.239 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.61 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.88 -43.3 99.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.795 -0.639 . . . . 15.0 111.543 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 62.6 p -54.34 -56.76 15.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.646 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 22.2 pt-20 -53.49 -40.79 65.62 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.181 0.515 . . . . 15.0 111.038 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.438 HD13 ' C ' ' P' ' 37' ' ' LYS . 51.0 mt -70.31 -55.53 14.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 15.0 112.9 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.714 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.8 mt -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.497 0.555 . . . . 15.0 112.497 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' P' ' 13' ' ' THR . 21.2 p30 -60.61 -53.97 50.98 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.4 -0.52 . . . . 15.0 111.752 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.531 ' OE2' HG11 ' P' ' 76' ' ' VAL . 97.2 mt-10 -45.32 -46.0 12.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.68 0.276 . . . . 15.0 111.439 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.415 ' CD2' HD11 ' P' ' 34' ' ' LEU . 17.0 t80 -72.58 -38.23 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 15.0 110.216 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.775 ' CE1' HD21 ' P' ' 23' A LEU . 0.3 OUTLIER -53.26 -50.59 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.679 178.722 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 75.0 m-85 -57.26 5.41 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.513 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.5 t -109.56 -21.46 12.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.61 0.243 . . . . 15.0 110.827 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' P' ' 23' C ASN . 3.6 m-70 -126.64 37.09 4.36 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.848 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 23' A LEU . . . . . 0.775 HD21 ' CE1' ' P' ' 20' ' ' PHE . 7.0 mt -44.8 -61.25 1.66 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.866 -0.333 . . . . 15.0 111.324 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 55.0 m -57.77 -8.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.685 0.254 . . . . 15.0 111.685 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 23' C ASN . . . . . 0.554 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 76.7 m-20 -150.05 65.96 7.71 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 109.629 -0.508 . . . . 15.0 109.629 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.64 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 19.5 Cg_exo -69.92 50.29 0.84 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.363 2.709 . . . . 15.0 114.152 -177.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' P' ' 26' ' ' PRO . 3.0 p90 -133.05 112.03 13.27 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.757 ' HG3' HG12 ' P' ' 45' ' ' VAL . 5.9 Cg_endo -47.2 -152.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.734 . . . . 15.0 112.935 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.996 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 59.4 m -152.94 170.75 19.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 106.458 -1.682 . . . . 15.0 106.458 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -49.32 -53.0 24.24 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 118.523 0.601 . . . . 15.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.34 -33.41 73.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.667 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.996 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.01 -55.85 22.12 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.098 -0.241 . . . . 15.0 110.639 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.638 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.64 -24.11 63.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.147 -0.621 . . . . 15.0 110.344 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.507 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.7 mt-10 -75.75 -60.31 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.634 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.7 pt-20 -58.56 -48.86 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.291 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.711 HD12 HG11 ' P' ' 45' ' ' VAL . 96.2 mt -55.85 -59.83 4.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.004 0.431 . . . . 15.0 110.561 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.43 -31.14 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 15.0 112.265 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.529 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.3 OUTLIER -76.08 -46.41 29.16 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 122.022 0.915 . . . . 15.0 109.266 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.438 ' C ' HD13 ' P' ' 15' ' ' ILE . 51.0 mtpt -67.04 -45.32 77.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.882 -1.508 . . . . 15.0 111.437 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.61 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 25.9 m -74.2 -51.46 15.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.244 -0.889 . . . . 15.0 112.233 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.91 7.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.11 -0.796 . . . . 15.0 111.11 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.874 HG21 ' CD1' ' P' ' 8' ' ' PHE . 25.1 pt -107.04 -162.55 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.549 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 8.4 t -121.27 144.18 48.76 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' P' ' 31' ' ' LYS . 9.5 t -26.73 -74.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.914 0.387 . . . . 15.0 111.689 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.509 ' N ' HG12 ' P' ' 42' ' ' VAL . 52.8 m -42.56 -31.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.293 0.849 . . . . 15.0 113.293 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.549 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 28.3 mm100 -66.69 -35.16 79.49 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.487 -0.485 . . . . 15.0 110.314 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.823 HG22 HD11 ' P' ' 40' ' ' ILE . 61.2 t -61.92 -58.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.602 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -53.55 -27.44 26.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.285 0.564 . . . . 15.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -73.79 -51.13 17.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.215 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 52.3 t90 -57.64 -60.63 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.218 -0.901 . . . . 15.0 111.426 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.714 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.2 m-85 -47.9 -57.95 5.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.843 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.474 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -39.04 -51.71 2.68 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.996 -0.621 . . . . 15.0 113.367 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.49 -25.88 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.062 0.393 . . . . 15.0 112.062 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.522 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 31.2 mmmt -58.04 -49.39 77.03 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.554 0.205 . . . . 15.0 111.554 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 11.6 ptt85 -64.24 -42.04 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 15.0 110.021 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.941 HG22 ' HE3' ' P' ' 58' ' ' LYS . 27.7 mm -54.62 -54.1 25.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.332 -0.618 . . . . 15.0 109.332 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.467 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 46.4 mmm-85 -53.06 -32.3 46.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.987 0.422 . . . . 15.0 110.85 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.849 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 76.7 t80 -52.27 -62.99 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.819 -0.628 . . . . 15.0 110.765 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.728 ' HA ' HD11 ' P' ' 60' ' ' ILE . 71.7 mmtt -45.89 -22.03 0.17 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.186 0.81 . . . . 15.0 113.186 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.941 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.2 OUTLIER -87.13 -35.44 18.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.86 0.362 . . . . 15.0 110.648 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.67 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.9 p30 -134.53 31.54 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.728 HD11 ' HA ' ' P' ' 57' ' ' LYS . 39.4 mm -13.37 -69.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 114.894 1.442 . . . . 15.0 114.894 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.65 -19.46 6.54 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 114.653 0.621 . . . . 15.0 114.653 -177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.67 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 59.6 tttp -69.69 -39.64 76.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.767 0.283 . . . . 15.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.757 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.3 m-85 -78.0 -24.74 47.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.517 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -57.77 -70.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.437 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -52.09 -46.86 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.78 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 53.8 mt-10 -56.33 -53.8 53.03 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.406 0.622 . . . . 15.0 109.445 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.84 -43.67 6.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.881 -1.054 . . . . 15.0 110.551 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -70.38 -33.96 72.02 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.167 0.508 . . . . 15.0 110.288 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.437 HG13 ' O ' ' P' ' 65' ' ' GLU . 97.9 mt -67.4 -61.84 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.069 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.454 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 57.9 m-85 -66.27 -29.1 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.586 -0.733 . . . . 15.0 111.708 -178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.25 -57.26 12.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 15.0 110.888 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.77 -27.85 60.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 15.0 111.491 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.496 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 8.0 mtpm? -70.25 67.23 0.31 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.377 . . . . 15.0 111.105 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 74' ' ' THR . . . . . . . . . . . . . 71.3 p -91.86 -24.71 19.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.982 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.2 7.43 11.25 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.97 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.531 HG11 ' OE2' ' P' ' 18' ' ' GLU . 10.8 p -83.26 137.98 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.811 0.338 . . . . 15.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m 60.47 73.03 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.238 -0.887 . . . . 15.0 111.109 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.588 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.941 0 C4'-C3'-C2' 104.904 1.704 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.667 H2'' ' OP2' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.928 1.662 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.667 ' OP2' H2'' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 101.816 -0.631 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.591 ' N4 ' ' N6 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.341 1.129 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.818 ' H2 ' ' HZ1' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 101.707 -0.709 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.513 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 C2'--C1' 1.509 -0.873 0 C3'-C2'-C1' 100.192 -1.791 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.914 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.534 0.901 0 O4'-C4'-C3' 103.994 -1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.914 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.621 0 O3'-P-O5' 105.583 0.833 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.858 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.865 0 C3'-C2'-C1' 99.343 -2.398 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.858 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.529 0.563 0 N19-C1'-C2' 111.789 -1.507 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.526 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.237 1.033 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.489 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.376 0.483 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.493 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.552 1.32 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.493 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-C2' 104.16 0.96 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.445 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O5'-C5'-C4' 110.919 0.513 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.616 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 101.941 -0.542 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.616 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.519 -0.892 0 O4'-C4'-C3' 104.297 -1.303 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.52 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 101.611 -0.778 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.52 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C3'-C2'-C1' 105.329 1.878 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.927 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.806 -2.067 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.927 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.52 -0.838 0 C4'-C3'-C2' 100.961 -2.239 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.873 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.256 0 N19-C1'-C2' 116.851 1.657 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.993 ' C8 ' ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 103.299 -0.369 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 1.034 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 O4'-C1'-N19 109.355 1.943 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.792 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 N19-C1'-C2' 116.083 1.177 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.828 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.439 0.595 0 O4'-C1'-C2' 107.687 1.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.75 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C4'-C3' 106.273 0.673 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.496 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 102.021 -0.485 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 0' ' ' MET . . . . . 0.619 ' HA ' ' HE3' ' P' ' 0' ' ' MET . 2.4 tpt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 121.033 0.444 . . . . 15.0 110.967 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.601 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . -73.72 174.59 8.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.231 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.638 ' HB3' ' CZ ' ' P' ' 3' ' ' ARG . 78.8 mtt-85 -50.91 -91.54 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.336 -0.393 . . . . 15.0 111.479 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.638 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.0 OUTLIER -176.35 166.61 2.8 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.669 -0.412 . . . . 15.0 111.735 -179.335 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 1.034 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.68 -58.9 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.711 0.634 . . . . 15.0 112.711 177.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.815 ' HB2' ' CD ' ' P' ' 4' ' ' LYS . 74.1 mtp180 -164.97 102.33 0.77 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.837 0.351 . . . . 15.0 110.317 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.486 ' HG3' ' C ' ' P' ' 5' ' ' ARG . 43.8 mtp85 -161.17 -41.1 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.66 0.743 . . . . 15.0 109.875 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -54.25 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.234 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.877 ' CD1' HG21 ' P' ' 40' ' ' ILE . 19.0 m-85 -62.69 107.67 1.01 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 118.921 0.782 . . . . 15.0 111.349 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 9' ' ' ASN . . . . . 0.517 ' O ' HG23 ' P' ' 13' ' ' THR . 5.8 m-20 -69.09 176.67 3.07 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.594 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -58.12 -19.77 35.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 15.0 111.58 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -75.53 -48.78 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.245 0.545 . . . . 15.0 110.239 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.629 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.92 -40.94 97.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.688 -0.687 . . . . 15.0 111.819 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.517 HG23 ' O ' ' P' ' 9' ' ' ASN . 57.7 p -56.34 -55.31 35.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 15.0 112.036 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 17.7 pt-20 -56.23 -40.23 73.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.336 0.589 . . . . 15.0 110.833 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' P' ' 38' ' ' SER . 75.0 mt -67.78 -56.62 12.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.272 -0.876 . . . . 15.0 112.324 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.56 HD22 ' HE1' ' P' ' 49' ' ' PHE . 75.4 mt -61.46 -46.61 89.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.637 0.606 . . . . 15.0 112.637 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.6 p30 -60.85 -52.22 65.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.326 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.548 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 43.6 mt-10 -46.24 -39.05 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 15.0 111.044 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.641 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -77.19 -41.18 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 15.0 110.184 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.58 ' CE2' HD21 ' P' ' 23' A LEU . 5.6 t80 -51.15 -46.25 61.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 15.0 111.731 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 74.0 m-85 -65.8 11.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.933 0.345 . . . . 15.0 111.933 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.479 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.0 m -110.09 -25.49 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 15.0 110.313 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' P' ' 23' C ASN . 3.0 m-70 -124.66 37.19 4.45 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.926 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 23' A LEU . . . . . 0.714 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.2 mt -45.51 -61.78 1.55 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.493 -0.321 . . . . 15.0 111.773 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -59.56 -14.25 12.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.426 0.528 . . . . 15.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 23' C ASN . . . . . 0.527 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 75.6 m-80 -161.07 69.59 2.58 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 120.633 0.254 . . . . 15.0 110.37 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.714 ' HD3' ' O ' ' P' ' 23' A LEU . 67.1 Cg_endo -74.29 80.96 2.11 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.569 2.18 . . . . 15.0 112.596 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.51 ' CE1' " H3'" ' B' ' 17' ' ' ' DG' . 10.8 m-85 -125.12 90.33 51.14 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.652 -0.704 . . . . 15.0 109.923 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.836 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.4 Cg_endo -64.19 92.08 0.18 Allowed 'Trans proline' 0 CA--C 1.51 -0.696 0 C-N-CA 122.469 2.113 . . . . 15.0 110.657 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.432 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 51.4 m -39.36 166.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.274 -179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.507 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 50.4 mt-10 -43.99 -45.31 7.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.425 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.84 -35.23 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.745 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -63.2 -57.82 9.24 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.772 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.93 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.65 -22.95 62.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 15.0 110.125 178.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.522 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 34.5 mt-10 -75.82 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.132 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.07 -49.42 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.5 -0.556 . . . . 15.0 109.5 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.741 HD12 HG11 ' P' ' 45' ' ' VAL . 95.9 mt -52.28 -61.34 2.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.93 0.395 . . . . 15.0 110.142 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.3 -30.93 52.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.021 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.8 -44.38 41.58 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.976 0.894 . . . . 15.0 109.31 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' P' ' 15' ' ' ILE . 25.1 mtpp -68.87 -45.97 69.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.884 -1.507 . . . . 15.0 111.616 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.629 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 34.6 m -73.62 -52.02 14.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.422 -0.808 . . . . 15.0 112.406 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.92 20.77 5.91 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.027 -0.829 . . . . 15.0 111.027 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' P' ' 8' ' ' PHE . 21.7 pt -108.05 -162.89 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.548 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 8.8 t -119.38 141.42 49.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.445 -0.946 . . . . 15.0 108.445 177.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.93 HG13 ' HG3' ' P' ' 31' ' ' LYS . 15.5 t -24.13 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.376 0.423 . . . . 15.0 111.604 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.529 ' N ' HG12 ' P' ' 42' ' ' VAL . 52.6 m -42.01 -30.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.355 0.872 . . . . 15.0 113.355 -178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.548 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 28.0 mm100 -66.97 -33.83 76.43 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.403 -0.519 . . . . 15.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.874 HG22 HD11 ' P' ' 40' ' ' ILE . 60.2 t -64.46 -60.29 2.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.559 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -51.8 -26.98 10.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.338 0.59 . . . . 15.0 110.057 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -73.83 -50.58 19.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.365 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.545 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 74.2 t90 -57.64 -59.58 4.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.493 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.56 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.8 m-85 -48.14 -58.82 3.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.44 -0.8 . . . . 15.0 111.83 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.484 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -38.93 -53.4 2.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.047 -0.597 . . . . 15.0 113.307 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -74.22 -23.15 59.14 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.63 0.233 . . . . 15.0 111.63 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.484 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 53.4 tptt -59.06 -42.87 91.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 15.0 110.981 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.649 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 15.7 ptt85 -71.1 -42.3 69.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.602 -0.518 . . . . 15.0 109.602 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.878 HG22 ' HE2' ' P' ' 58' ' ' LYS . 37.4 mm -54.68 -52.78 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 107.746 -1.205 . . . . 15.0 107.746 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.408 ' HG2' ' HZ ' ' P' ' 63' ' ' PHE . 34.9 ttm180 -51.35 -41.65 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.242 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.715 ' HA ' ' CE2' ' P' ' 63' ' ' PHE . 1.2 t80 -51.39 -59.92 3.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.714 -0.676 . . . . 15.0 111.013 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.495 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 75.2 mmtt -46.88 -18.17 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.944 1.09 . . . . 15.0 113.944 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.878 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.3 mptp? -75.6 -37.55 59.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.919 0.39 . . . . 15.0 110.363 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.6 m-80 -138.24 43.05 2.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.065 0.765 . . . . 15.0 113.065 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.495 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.5 mm -13.59 -71.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 115.056 1.502 . . . . 15.0 115.056 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.15 -22.61 29.7 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 116.044 -0.525 . . . . 15.0 114.308 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.2 tttm -74.02 -37.64 64.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 15.0 110.329 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.715 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 86.8 m-85 -79.83 -32.77 40.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 15.0 111.599 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 64' ' ' GLN . . . . . 0.474 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 85.2 mt-30 -53.93 -61.66 2.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.601 -0.518 . . . . 15.0 109.601 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.478 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -52.12 -45.01 64.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.709 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.2 mt-10 -57.01 -51.62 68.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.028 -0.731 . . . . 15.0 109.028 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.42 -41.44 4.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.509 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -74.93 -33.59 61.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.501 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.478 HG13 ' O ' ' P' ' 65' ' ' GLU . 81.7 mt -64.83 -55.03 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.098 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.492 ' HA ' ' HD3' ' P' ' 73' ' ' LYS . 29.8 m-85 -66.23 -16.91 64.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.948 0.404 . . . . 15.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.75 -58.07 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.191 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.89 -38.94 87.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.087 0.773 . . . . 15.0 113.087 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.8 ' O ' HG22 ' P' ' 74' ' ' THR . 0.0 OUTLIER -68.82 -106.82 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.201 0.445 . . . . 15.0 112.201 -178.654 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.8 HG22 ' O ' ' P' ' 73' ' ' LYS . 12.8 t 57.99 146.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.041 0.448 . . . . 15.0 110.888 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 73.6 -77.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.1 -0.5 . . . . 15.0 110.525 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.596 HG22 HG22 ' P' ' 77' ' ' THR . 4.3 p 43.27 94.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.208 -0.451 . . . . 15.0 112.062 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 77' ' ' THR . . . . . 0.596 HG22 HG22 ' P' ' 76' ' ' VAL . 9.8 t 46.97 54.19 9.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.948 -0.569 . . . . 15.0 111.428 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.269 -0.872 . . . . 15.0 111.117 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.584 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.926 0 C4'-C3'-C2' 104.806 1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.806 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 107.881 1.619 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.806 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 101.476 -0.874 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.646 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C3'-C2'-C1' 102.057 -0.459 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.646 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-C2' 103.804 0.604 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.465 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C4'-C3'-C2' 102.173 -1.027 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.874 " H1'" ' O ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 105.073 1.695 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.705 " C2'" ' H72' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.081 0.892 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.774 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.032 0 C3'-C2'-C1' 99.565 -2.239 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.774 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.717 0 C3'-C2'-C1' 104.63 1.379 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.553 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 107.559 1.326 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.553 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.507 0.576 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.654 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C3'-C2'-C1' 104.784 1.489 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.654 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 P-O3'-C3' 120.28 0.484 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.541 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 O5'-C5'-C4' 110.942 0.53 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.541 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C3'-C2'-C1' 101.988 -0.508 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.57 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 105.053 1.68 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.909 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.406 -1.067 0 C1'-O4'-C4' 107.105 -1.854 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.909 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-C2' 104.343 1.143 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.976 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 C3'-C2'-C1' 99.505 -2.282 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.976 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -1.002 0 C4'-C3'-C2' 100.77 -2.43 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.78 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.96 0 C4'-C3'-C2' 105.331 2.131 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.78 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 O4'-C1'-C2' 104.441 -1.508 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 1.029 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-N19 109.048 1.56 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.713 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C4'-C3' 104.177 -1.423 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.713 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.438 0.538 0 C3'-C2'-C1' 104.934 1.596 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.65 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C4'-C3' 106.238 0.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.507 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 101.977 -0.517 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 0' ' ' MET . . . . . 0.583 ' HA ' ' HE3' ' P' ' 0' ' ' MET . 2.6 tpt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.983 0.42 . . . . 15.0 110.988 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.809 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . -73.32 171.68 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 15.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.577 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 64.6 mtt-85 -51.53 -92.01 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.424 -0.353 . . . . 15.0 111.224 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.563 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.0 OUTLIER -175.71 170.79 2.82 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.457 -0.497 . . . . 15.0 112.105 179.465 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 1.029 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.38 -49.29 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 115.756 -0.656 . . . . 15.0 111.064 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.908 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 12.0 mtp-105 -161.08 -122.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 15.0 109.458 -178.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER 44.92 5.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.736 0.643 . . . . 15.0 112.736 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.638 ' H ' ' C ' ' P' ' 5' ' ' ARG . 2.2 t-20 -87.13 -83.81 0.19 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.986 -1.007 . . . . 15.0 109.886 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.624 ' CE2' ' HB2' ' P' ' 48' ' ' TRP . 1.2 m-30 -85.17 117.35 24.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.882 -0.414 . . . . 15.0 109.882 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -70.93 173.89 6.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.042 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -54.92 -26.85 38.87 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.766 0.317 . . . . 15.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.633 ' O ' HD12 ' P' ' 15' ' ' ILE . 3.9 tp-100 -68.29 -49.07 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 15.0 109.888 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.648 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.64 -48.16 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.516 -0.766 . . . . 15.0 111.351 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 73.4 p -53.16 -57.31 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 15.0 111.568 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.6 pt-20 -53.93 -40.69 66.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.276 0.56 . . . . 15.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.633 HD12 ' O ' ' P' ' 11' ' ' GLN . 37.4 mt -67.72 -54.45 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.507 -0.77 . . . . 15.0 111.989 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.718 HD22 ' HE1' ' P' ' 49' ' ' PHE . 80.6 mt -63.07 -48.92 76.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.536 0.569 . . . . 15.0 112.536 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.4 p30 -60.97 -53.11 61.29 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.372 -0.531 . . . . 15.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.503 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.9 mt-10 -47.32 -37.36 10.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.742 0.306 . . . . 15.0 111.025 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 19' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -82.93 -37.69 23.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.988 0.423 . . . . 15.0 109.919 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' P' ' 23' A LEU . 25.2 t80 -49.47 -48.92 47.38 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.73 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 71.4 m-85 -59.86 7.6 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.849 -0.614 . . . . 15.0 112.485 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.506 ' H ' ' C ' ' P' ' 20' ' ' PHE . 52.5 m -113.7 -23.47 9.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.7 0.286 . . . . 15.0 110.557 179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.435 ' HB3' ' OD1' ' P' ' 23' C ASN . 2.3 m-70 -120.32 33.69 5.5 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.29 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 23' A LEU . . . . . 0.616 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.5 mt -47.13 -62.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.408 . . . . 15.0 111.57 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -59.23 -14.81 12.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 15.0 112.031 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 23' C ASN . . . . . 0.509 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 12.0 p30 -142.25 72.59 21.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.072 0.463 . . . . 15.0 110.365 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' O ' ' P' ' 23' A LEU . 45.8 Cg_endo -66.23 63.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.355 2.703 . . . . 15.0 113.713 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' P' ' 23' C ASN . 0.1 OUTLIER -154.21 99.3 2.51 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.331 -0.618 . . . . 15.0 109.331 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.788 ' HG3' HG12 ' P' ' 45' ' ' VAL . 95.6 Cg_endo -71.67 116.44 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.348 2.699 . . . . 15.0 113.239 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 27' ' ' SER . . . . . . . . . . . . . 47.6 t -37.03 158.45 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.11 -0.95 . . . . 15.0 111.083 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.524 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -45.69 -42.7 11.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.716 -0.674 . . . . 15.0 110.82 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -75.73 -24.79 56.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.872 0.368 . . . . 15.0 110.753 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -67.85 -55.22 13.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.099 -0.5 . . . . 15.0 109.844 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.96 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -61.29 -21.74 64.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 15.0 110.205 178.477 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 89.0 mt-10 -75.43 -60.2 2.41 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 177.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.61 -46.16 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.263 -0.643 . . . . 15.0 109.263 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.704 HD12 HG11 ' P' ' 45' ' ' VAL . 96.4 mt -55.8 -61.27 2.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.11 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.54 -29.61 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 15.0 112.408 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.8 OUTLIER -75.34 -46.72 31.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.014 0.912 . . . . 15.0 108.652 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.47 ' HE3' HG23 ' P' ' 15' ' ' ILE . 26.1 mtpp -64.83 -50.48 66.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.842 -1.526 . . . . 15.0 110.426 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.648 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 36.5 p -74.05 -53.0 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.904 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.32 5.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 15.0 112.169 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.956 HD11 HG22 ' P' ' 45' ' ' VAL . 4.3 pt -101.56 -168.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.464 0.173 . . . . 15.0 110.695 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.522 ' O ' ' N ' ' P' ' 43' ' ' SER . 5.1 t -108.56 84.84 2.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.589 0.233 . . . . 15.0 110.773 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.96 HG13 ' HG3' ' P' ' 31' ' ' LYS . 16.4 t 19.59 -81.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 124.195 0.934 . . . . 15.0 112.066 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.601 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.6 m -45.49 -23.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.336 -0.393 . . . . 15.0 111.906 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.448 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 5.2 tp60 -67.2 -36.12 81.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.956 HG22 HD11 ' P' ' 40' ' ' ILE . 60.1 t -59.06 -56.82 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.946 -1.024 . . . . 15.0 110.16 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -56.12 -27.84 55.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.468 0.651 . . . . 15.0 110.052 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 47' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' P' ' 44' ' ' GLN . 53.1 m-20 -73.34 -52.13 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.829 -1.078 . . . . 15.0 109.479 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.624 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 83.8 t90 -57.95 -53.56 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.306 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.718 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.8 m-85 -47.84 -53.02 16.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.45 -0.796 . . . . 15.0 111.19 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -54.09 -33.19 50.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.983 -1.103 . . . . 15.0 111.319 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.475 ' HA ' HG12 ' P' ' 54' ' ' ILE . 0.3 OUTLIER -77.49 -37.11 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 15.0 110.813 179.507 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.504 ' HG3' ' CD2' ' P' ' 20' ' ' PHE . 27.8 tptp -60.3 -31.38 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 15.0 111.693 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.2 ptm180 -73.71 -38.09 64.95 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.099 -0.704 . . . . 15.0 109.099 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.917 HG22 ' HE2' ' P' ' 58' ' ' LYS . 7.7 mm -55.07 -56.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.51 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -49.87 -39.91 40.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.893 0.377 . . . . 15.0 110.717 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.674 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -51.49 -60.6 2.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.756 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.56 ' HA ' HD11 ' P' ' 60' ' ' ILE . 75.0 mmtt -47.07 -19.03 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.202 1.186 . . . . 15.0 114.202 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.917 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.2 mptp? -75.3 -38.54 60.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.922 0.391 . . . . 15.0 110.635 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' P' ' 62' ' ' LYS . 47.5 m-20 -139.32 42.93 2.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.882 0.697 . . . . 15.0 112.882 -178.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' P' ' 57' ' ' LYS . 45.2 mm -13.58 -71.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 114.914 1.45 . . . . 15.0 114.914 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.46 -25.03 26.02 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 116.153 -0.476 . . . . 15.0 113.626 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.4 tmtm? -71.19 -39.89 71.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.674 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 44.2 m-85 -79.54 -31.16 42.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 15.0 111.617 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 64' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.5 mt-30 -51.48 -64.4 0.83 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.437 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.4 tt0 -51.93 -44.07 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.616 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 55.2 mt-10 -57.04 -52.01 66.97 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.621 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.14 -40.41 3.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.759 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -73.76 -35.02 64.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 15.0 110.343 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.437 HG13 ' O ' ' P' ' 65' ' ' GLU . 77.2 mt -66.62 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.804 -0.634 . . . . 15.0 111.025 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.446 ' HA ' ' CG ' ' P' ' 73' ' ' LYS . 10.5 m-85 -76.35 -25.94 55.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.2 -57.41 12.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 15.0 111.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.44 -48.06 69.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.883 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.756 ' O ' HG22 ' P' ' 74' ' ' THR . 0.2 OUTLIER -68.92 -117.54 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.616 -0.265 . . . . 15.0 111.208 -179.601 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.756 HG22 ' O ' ' P' ' 73' ' ' LYS . 14.2 t 56.13 149.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.125 0.488 . . . . 15.0 111.432 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 73.02 7.67 5.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.425 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.632 HG13 ' O ' ' P' ' 76' ' ' VAL . 8.1 p -86.17 78.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.943 0.402 . . . . 15.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -146.24 98.19 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 15.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.182 -0.913 . . . . 15.0 111.103 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.589 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C4'-C3'-C2' 104.839 1.639 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.78 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.95 1.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.78 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 101.519 -0.843 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.619 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C1'-O4'-C4' 110.342 0.459 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.619 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C4'-C3'-C2' 104.004 0.804 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.611 ' O2 ' ' HE2' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C3'-C2'-C1' 99.688 -2.151 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.768 " C2'" ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 106.075 2.411 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.768 ' C8 ' " C2'" ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C4'-C3'-C2' 104.377 1.177 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.775 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.455 0.84 0 C3'-C2'-C1' 99.925 -1.982 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.775 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.874 0 C3'-C2'-C1' 104.531 1.308 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.52 " H5'" " H1'" ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.52 1.291 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.449 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 103.971 0.771 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.63 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 104.7 1.428 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.63 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C5'-C4'-O4' 108.534 -0.541 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.527 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O5'-C5'-C4' 110.889 0.492 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.643 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 101.811 -0.635 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.643 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.547 1.315 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.676 H2'' HD12 ' P' ' 54' ' ' ILE . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 O4'-C1'-C2' 107.026 0.841 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.509 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C3'-C2'-C1' 101.488 -0.866 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.805 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C3'-C2'-C1' 99.822 -2.056 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.805 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.519 -0.883 0 C4'-C3'-C2' 100.733 -2.467 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.75 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.896 0 C4'-C3'-C2' 105.427 2.227 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.84 ' C8 ' ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 104.716 -1.258 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 1.081 ' O2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 100.551 -1.535 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.721 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C4'-C3' 103.918 -1.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.721 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.604 0 C3'-C2'-C1' 104.926 1.59 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.653 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 C4'-C3'-C2' 103.902 0.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.527 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C3'-C2'-C1' 101.947 -0.538 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 0' ' ' MET . . . . . 0.553 ' O ' ' HB3' ' P' ' 1' ' ' ALA . 25.3 ptm . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.64 0.257 . . . . 15.0 111.37 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.865 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . 78.78 168.84 0.2 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.369 -0.378 . . . . 15.0 111.34 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.576 ' HB3' ' CZ ' ' P' ' 3' ' ' ARG . 88.8 mtt180 -52.91 -95.64 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.019 -0.537 . . . . 15.0 112.276 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.576 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.0 OUTLIER -163.13 154.93 17.75 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.614 -0.434 . . . . 15.0 112.006 -179.235 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 1.081 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 2.5 tptp -177.32 -64.58 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 120.97 0.414 . . . . 15.0 110.939 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.652 ' HD2' ' CE ' ' P' ' 4' ' ' LYS . 3.1 mtt-85 -157.32 138.51 13.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.403 -0.817 . . . . 15.0 111.711 -176.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.486 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 14.7 ptm180 157.87 -28.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.107 -0.951 . . . . 15.0 109.175 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 19.1 t30 -66.06 -98.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.074 -0.966 . . . . 15.0 111.195 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.859 ' CD1' HG21 ' P' ' 40' ' ' ILE . 12.5 m-85 -56.17 100.35 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 118.575 0.625 . . . . 15.0 111.093 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -64.79 170.76 3.9 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.453 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -52.2 -21.23 3.17 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.753 0.311 . . . . 15.0 111.482 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.609 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 50.7 tt0 -77.93 -45.43 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.138 0.494 . . . . 15.0 110.268 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.635 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.62 -43.38 97.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 15.0 112.051 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.6 p -57.6 -55.22 37.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.706 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.5 pt-20 -52.36 -40.36 61.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.449 0.642 . . . . 15.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' P' ' 38' ' ' SER . 75.1 mt -69.61 -55.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 15.0 113.104 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.483 HD22 HG13 ' P' ' 45' ' ' VAL . 89.2 mt -60.08 -47.51 85.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.81 0.67 . . . . 15.0 112.81 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.557 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.1 p30 -60.98 -52.32 65.52 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.307 -0.557 . . . . 15.0 111.319 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.903 ' HB3' HG22 ' P' ' 74' ' ' THR . 47.9 mt-10 -46.36 -39.8 10.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.751 0.31 . . . . 15.0 110.918 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.721 ' CD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -77.93 -39.96 41.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.108 0.48 . . . . 15.0 110.166 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.552 ' CE2' HD21 ' P' ' 23' A LEU . 5.6 t80 -51.83 -51.36 57.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.492 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 66.5 m-85 -59.08 5.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.487 0.551 . . . . 15.0 112.487 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.493 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.2 m -108.88 -23.64 11.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 15.0 110.53 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' P' ' 23' C ASN . 3.2 m-70 -125.89 38.4 4.16 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.134 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 23' A LEU . . . . . 0.678 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.5 mt -45.79 -63.48 0.96 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.11 0.411 . . . . 15.0 112.11 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 56.3 m -58.99 -13.48 6.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.21 0.448 . . . . 15.0 112.21 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 23' C ASN . . . . . 0.505 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 15.9 p-10 -157.89 72.07 4.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.689 0.28 . . . . 15.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.678 ' HD3' ' O ' ' P' ' 23' A LEU . 58.7 Cg_endo -72.43 81.43 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.475 2.117 . . . . 15.0 112.059 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' P' ' 23' C ASN . 18.9 m-85 -128.62 89.0 50.6 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.85 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 72.2 Cg_endo -65.16 89.61 0.2 Allowed 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 122.67 2.247 . . . . 15.0 111.032 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.508 ' O ' ' O ' ' P' ' 26' ' ' PRO . 55.9 m -35.52 166.36 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.968 0.793 . . . . 15.0 111.609 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.2 mt-10 -44.35 -45.8 9.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.483 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -30.33 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.583 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.807 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -67.15 -57.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.217 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.949 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.45 -22.99 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.148 0.499 . . . . 15.0 109.795 178.473 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.0 mt-10 -75.87 -60.67 2.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.337 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.7 pt-20 -59.59 -47.58 85.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.748 HD13 ' HE2' ' P' ' 49' ' ' PHE . 96.5 mt -53.54 -61.5 2.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.074 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.42 ' HA ' HG13 ' P' ' 40' ' ' ILE . . . -56.21 -29.43 60.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 15.0 112.105 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.525 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.1 -47.14 25.61 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.107 0.956 . . . . 15.0 109.273 179.328 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.447 ' C ' HD13 ' P' ' 15' ' ' ILE . 25.0 mtpp -67.47 -44.62 78.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.751 -1.568 . . . . 15.0 111.389 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.667 ' HA ' HD12 ' P' ' 15' ' ' ILE . 46.6 m -73.89 -54.09 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.383 -0.826 . . . . 15.0 112.471 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.43 15.83 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.43 -0.668 . . . . 15.0 111.43 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.907 HD11 HG22 ' P' ' 45' ' ' VAL . 12.2 pt -104.4 -166.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.6 t -116.81 137.55 52.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.63 -0.878 . . . . 15.0 108.63 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.949 HG13 ' HG3' ' P' ' 31' ' ' LYS . 32.2 t -21.46 -78.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.066 0.395 . . . . 15.0 112.066 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.499 ' N ' HG12 ' P' ' 42' ' ' VAL . 46.2 m -43.16 -29.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 15.0 112.396 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.6 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 8.9 tp-100 -67.06 -37.8 84.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.134 0.492 . . . . 15.0 110.003 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.907 HG22 HD11 ' P' ' 40' ' ' ILE . 74.9 t -60.04 -55.35 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.97 -22.16 24.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.234 0.54 . . . . 15.0 110.685 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 47' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.9 t-20 -74.05 -50.29 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.361 -0.836 . . . . 15.0 109.848 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.527 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 76.6 t90 -57.5 -63.31 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.209 -0.905 . . . . 15.0 112.213 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.748 ' HE2' HD13 ' P' ' 34' ' ' LEU . 47.5 m-85 -47.72 -56.7 6.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.233 -0.894 . . . . 15.0 112.303 -178.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -43.55 -47.65 7.22 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.557 -0.83 . . . . 15.0 112.442 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.494 ' HA ' HG12 ' P' ' 54' ' ' ILE . 48.2 t30 -73.69 -30.59 62.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 15.0 111.053 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.431 ' HG3' ' CE1' ' P' ' 20' ' ' PHE . 21.4 tptm -60.26 -43.78 95.87 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.334 -0.394 . . . . 15.0 112.046 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.89 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.5 ptm180 -65.38 -40.01 92.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.094 -0.706 . . . . 15.0 109.094 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.895 HG22 ' HE3' ' P' ' 58' ' ' LYS . 4.5 mm -53.42 -54.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.322 -0.621 . . . . 15.0 109.322 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.477 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 67.2 mtp180 -51.55 -31.64 25.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.794 0.33 . . . . 15.0 111.257 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.89 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.4 OUTLIER -50.6 -63.46 1.12 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.637 0.732 . . . . 15.0 110.475 179.002 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.567 ' HA ' HD11 ' P' ' 60' ' ' ILE . 70.9 mmtt -47.54 -22.21 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.59 -1.186 . . . . 15.0 113.488 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.895 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.6 OUTLIER -77.78 -40.12 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.005 0.431 . . . . 15.0 110.55 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' P' ' 60' ' ' ILE . 59.2 m-20 -133.89 41.24 3.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.941 0.719 . . . . 15.0 112.941 -178.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.613 HG23 ' HE1' ' P' ' 56' ' ' TYR . 41.3 mm -13.8 -72.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 114.834 1.42 . . . . 15.0 114.834 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.9 45.06 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 114.543 0.577 . . . . 15.0 114.543 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.0 tttm -70.57 -41.07 72.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.26 0.552 . . . . 15.0 110.193 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.804 ' CD2' ' HA ' ' P' ' 56' ' ' TYR . 88.9 m-85 -77.35 -32.62 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.874 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 64' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 85.9 mt-30 -53.9 -63.77 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.871 0.367 . . . . 15.0 110.327 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.401 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -51.42 -44.25 62.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.769 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.85 -50.94 72.1 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.572 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.81 -42.98 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.908 -1.042 . . . . 15.0 110.536 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.36 -35.91 68.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.064 0.459 . . . . 15.0 110.387 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.401 HG13 ' O ' ' P' ' 65' ' ' GLU . 84.6 mt -63.22 -61.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.944 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.778 ' O ' HG23 ' P' ' 74' ' ' THR . 62.1 m-85 -66.26 -30.37 70.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.888 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -57.82 -57.45 12.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 15.0 111.253 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.22 -47.66 68.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 15.0 112.051 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.462 ' O ' ' OG1' ' P' ' 74' ' ' THR . 17.6 ptmt -68.86 -112.88 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.55 -0.296 . . . . 15.0 111.469 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.903 HG22 ' HB3' ' P' ' 18' ' ' GLU . 42.8 p 62.13 138.32 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.015 0.436 . . . . 15.0 110.93 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 70.71 11.42 7.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.557 . . . . 15.0 111.311 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 9.8 p -85.92 -22.41 7.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.285 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 8.5 t -93.13 -28.27 16.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.452 -0.34 . . . . 15.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.252 -0.88 . . . . 15.0 111.084 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.587 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.936 0 C4'-C3'-C2' 104.824 1.624 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.826 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.896 1.633 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.826 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 101.568 -0.809 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.667 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 102.198 -0.359 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.667 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-C2' 103.71 0.51 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.746 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 100.646 -1.467 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.82 " H1'" ' O ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C3'-C2'-C1' 105.014 1.653 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.816 " H2'" ' H72' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O4'-C1'-C2' 107.033 0.849 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.816 ' H72' " H2'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.983 0 C3'-C2'-C1' 99.447 -2.324 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.687 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.53 0.651 0 C3'-C2'-C1' 104.717 1.441 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.554 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.5 0.572 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.788 " H1'" ' OP1' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.342 -0.858 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.788 ' OP1' " H1'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.608 1.371 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.536 " O5'" " H4'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C4'-C3'-C2' 104.193 0.993 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.574 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 O4'-C1'-C2' 106.816 0.651 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.574 ' N3 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 106.796 0.633 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.55 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.422 0.515 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.807 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C4'-C3'-C2' 102.148 -1.052 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.807 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 C3'-C2'-C1' 101.771 -0.663 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.982 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 101.022 -2.178 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.982 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.535 1.03 0 C2'-C3'-O3' 114.672 1.508 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.738 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.407 -1.033 0 C4'-C3'-C2' 105.097 1.897 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.678 " C2'" ' H71' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C3'-C2'-C1' 101.09 -1.15 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.98 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 O4'-C1'-N19 109.271 1.838 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.736 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C4'-C3' 103.642 -1.958 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.736 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.523 0.525 0 C3'-C2'-C1' 104.939 1.599 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.637 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C4'-C3' 106.177 0.577 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.499 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.172 0.465 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.795 0.331 . . . . 15.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.912 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . -72.55 155.78 39.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -51.85 -82.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.773 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.531 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -176.64 175.78 1.65 Allowed 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.42 -0.112 . . . . 15.0 110.823 -179.169 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.98 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.74 -44.26 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.3 0.852 . . . . 15.0 113.3 179.207 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.913 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 25.9 mtp85 -164.54 -40.55 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.658 0.266 . . . . 15.0 111.09 -177.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -28.94 -34.38 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.471 -0.786 . . . . 15.0 112.29 -178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' P' ' 5' ' ' ARG . 3.6 t-20 -56.14 -95.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.785 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.569 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.2 m-85 -67.79 107.46 2.61 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 118.696 0.68 . . . . 15.0 111.867 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.9 t-20 -63.28 167.35 5.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.619 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.493 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 64.0 mttp -56.61 -23.5 41.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.093 0.473 . . . . 15.0 110.594 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -70.82 -48.11 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.256 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.609 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.91 -36.86 82.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.417 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 75.2 p -61.31 -54.27 46.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 15.0 111.844 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 18.6 pt-20 -57.0 -44.17 82.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.313 0.578 . . . . 15.0 110.64 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.462 HG23 ' HE3' ' P' ' 37' ' ' LYS . 52.8 mt -59.88 -61.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.104 -0.953 . . . . 15.0 111.882 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.66 HD22 ' HE1' ' P' ' 49' ' ' PHE . 55.2 mt -58.04 -45.68 86.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.458 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.487 ' HB3' ' HE1' ' P' ' 21' ' ' TYR . 42.9 m-20 -48.05 -64.73 0.71 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.77 0.319 . . . . 15.0 111.244 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' P' ' 70' ' ' TYR . 51.8 mt-10 -39.82 -42.1 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.826 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.681 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.9 t80 -79.74 -35.65 38.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.525 ' CZ ' ' CD2' ' P' ' 23' A LEU . 19.3 t80 -53.08 -51.7 60.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.621 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.491 ' CE1' ' CD2' ' P' ' 70' ' ' TYR . 42.1 m-85 -63.97 10.64 0.05 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.315 0.487 . . . . 15.0 112.315 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.481 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.1 t -109.65 -22.96 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 15.0 110.064 178.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' P' ' 23' C ASN . 2.7 m-70 -126.72 34.8 4.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.071 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 23' A LEU . . . . . 0.726 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.88 -61.74 1.61 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.059 0.392 . . . . 15.0 112.059 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 53.7 m -58.37 -13.45 5.36 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.847 0.314 . . . . 15.0 111.847 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 23' C ASN . . . . . 0.588 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 5.4 p30 -142.94 71.71 18.87 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.499 -0.926 . . . . 15.0 108.499 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.726 ' HD3' ' O ' ' P' ' 23' A LEU . 37.7 Cg_endo -70.43 67.26 2.14 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.89 2.393 . . . . 15.0 113.746 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.588 ' CZ ' ' HB2' ' P' ' 23' C ASN . 8.1 p90 -153.34 120.56 2.98 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.959 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.612 ' HG3' HG12 ' P' ' 45' ' ' VAL . 17.9 Cg_endo -54.96 -152.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.271 2.647 . . . . 15.0 112.492 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 27' ' ' SER . . . . . 1.011 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 53.6 m -147.27 169.45 19.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.999 -1.852 . . . . 15.0 105.999 178.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -49.61 -52.47 30.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 118.965 0.802 . . . . 15.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 29' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 16.7 pt-20 -70.39 -30.75 67.72 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.737 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 1.011 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -66.39 -56.7 9.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.708 -0.224 . . . . 15.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.768 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.94 -24.48 62.54 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 120.113 -0.635 . . . . 15.0 110.233 178.751 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.528 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.5 mt-10 -76.03 -60.33 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 15.0 109.939 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.15 -48.03 81.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 15.0 110.258 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.627 HD11 ' CD2' ' P' ' 19' ' ' TYR . 96.0 mt -56.02 -60.47 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.186 0.517 . . . . 15.0 110.569 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.11 -28.2 38.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.487 -0.779 . . . . 15.0 112.424 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.64 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.8 OUTLIER -76.24 -45.6 32.13 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.136 0.97 . . . . 15.0 109.142 179.325 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.462 ' HE3' HG23 ' P' ' 15' ' ' ILE . 26.5 mtpp -67.42 -48.1 68.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.593 -1.639 . . . . 15.0 111.832 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.609 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 42.7 m -74.01 -52.63 12.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.762 -0.654 . . . . 15.0 112.261 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.12 20.07 5.72 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.152 -0.779 . . . . 15.0 111.152 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.725 HD11 HG22 ' P' ' 45' ' ' VAL . 9.4 pt -105.15 -165.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.487 -0.561 . . . . 15.0 109.487 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.526 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.3 t -120.11 139.51 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.55 -0.908 . . . . 15.0 108.55 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.768 HG13 ' HG3' ' P' ' 31' ' ' LYS . 9.0 t -23.82 -75.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.523 ' N ' HG12 ' P' ' 42' ' ' VAL . 49.9 m -44.06 -30.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.542 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 37.7 mm-40 -66.83 -40.86 88.12 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.128 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.725 HG22 HD11 ' P' ' 40' ' ' ILE . 87.7 t -54.42 -54.21 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.811 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.09 -27.63 46.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.295 0.569 . . . . 15.0 110.391 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 47' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 51.6 t-20 -73.8 -51.33 16.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.232 -0.894 . . . . 15.0 109.26 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 64.0 t90 -57.83 -58.15 9.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.925 -1.034 . . . . 15.0 111.717 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.66 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.8 m-85 -47.89 -55.35 10.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.493 -0.776 . . . . 15.0 111.993 -178.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -51.42 -38.12 41.44 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.474 -0.87 . . . . 15.0 112.846 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.31 -36.09 78.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.655 0.264 . . . . 15.0 111.701 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.2 mmmt -60.13 -41.28 92.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.791 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 5.2 ptm180 -61.36 -42.36 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.423 0.63 . . . . 15.0 109.436 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.876 HG22 ' HE3' ' P' ' 58' ' ' LYS . 9.1 mm -54.16 -62.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.064 -177.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.641 ' NH2' ' N7 ' ' A' ' 7' ' ' ' DG' . 42.7 mtt85 -53.41 -29.14 33.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.798 0.296 . . . . 15.0 111.798 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.791 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -52.24 -62.75 1.44 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.682 0.753 . . . . 15.0 109.82 178.202 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.592 ' HA ' HD11 ' P' ' 60' ' ' ILE . 72.5 mmtt -48.04 -19.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.516 -1.22 . . . . 15.0 114.04 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.876 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -77.26 -39.0 49.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.041 0.448 . . . . 15.0 110.616 -179.312 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' P' ' 62' ' ' LYS . 57.2 m-20 -135.82 41.66 2.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.724 0.638 . . . . 15.0 112.724 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' P' ' 57' ' ' LYS . 43.3 mm -13.91 -71.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 114.769 1.396 . . . . 15.0 114.769 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.29 43.25 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 116.063 -0.517 . . . . 15.0 114.192 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.539 ' O ' ' HD3' ' P' ' 62' ' ' LYS . 5.9 tmtm? -70.84 -40.93 72.11 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.378 -0.601 . . . . 15.0 109.378 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.708 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 94.3 m-85 -73.81 -35.37 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.847 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 64' ' ' GLN . . . . . 0.538 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.9 mt-30 -50.94 -61.54 2.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 15.0 109.931 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.415 ' O ' HG13 ' P' ' 69' ' ' ILE . 89.1 tt0 -50.03 -44.6 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.597 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.418 ' HB3' ' CE2' ' P' ' 70' ' ' TYR . 49.8 mt-10 -56.55 -50.57 71.49 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.608 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.86 -45.88 7.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.462 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -70.51 -30.58 67.39 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.941 0.4 . . . . 15.0 110.751 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.415 HG13 ' O ' ' P' ' 65' ' ' GLU . 93.7 mt -70.85 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.038 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.491 ' CD2' ' CE1' ' P' ' 21' ' ' TYR . 56.8 m-85 -66.5 -13.64 61.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.645 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.75 ' O ' HG23 ' P' ' 74' ' ' THR . . . -75.85 -60.16 2.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 15.0 110.628 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.51 -25.94 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.676 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.467 ' NZ ' ' HB2' ' P' ' 73' ' ' LYS . 0.1 OUTLIER -99.24 36.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.573 -0.285 . . . . 15.0 111.591 -179.643 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.75 HG23 ' O ' ' P' ' 71' ' ' ALA . 40.1 p -89.97 150.43 22.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.777 0.322 . . . . 15.0 110.801 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 68.79 17.36 8.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 15.0 111.386 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -85.48 -35.29 9.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.331 . . . . 15.0 111.056 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 86.7 m 60.71 85.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.275 -0.869 . . . . 15.0 111.134 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.598 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.953 0 C4'-C3'-C2' 104.834 1.634 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.726 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.863 1.603 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.726 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 101.514 -0.847 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.492 ' C6 ' H2'' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C5'-C4'-O4' 108.678 -0.451 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.422 " H2'" ' H72' ' A' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.873 0 C1'-O4'-C4' 107.979 -1.229 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.645 ' O2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 100.547 -1.538 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.687 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C1'-O4'-C4' 110.818 0.799 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.741 " H2'" ' H72' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-C2' 107.581 1.347 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.742 " C2'" ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.509 -0.864 0 C3'-C2'-C1' 99.787 -2.081 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.742 ' H72' " C2'" ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.768 0 C3'-C2'-C1' 104.935 1.596 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.486 " H5'" ' C8 ' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 104.714 1.439 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.442 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 104.009 0.809 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.706 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.556 1.324 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.706 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 P-O3'-C3' 120.393 0.578 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.503 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 O5'-C5'-C4' 110.855 0.468 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.503 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 101.614 -0.775 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.667 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C2'-C3'-O3' 113.515 1.08 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.667 " O5'" " H1'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 N19-C1'-C2' 115.874 1.047 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.659 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 C3'-C2'-C1' 101.841 -0.613 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.996 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 99.299 -2.429 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.996 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.517 -1.102 0 C4'-C3'-C2' 100.052 -3.148 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.857 H2'' " O5'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.524 0.59 0 O4'-C1'-C2' 108.123 1.839 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.857 " O5'" H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.806 0 C4'-C3'-C2' 104.596 1.396 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.77 ' O2 ' " H5'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.145 0 C3'-C2'-C1' 99.943 -1.969 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.77 " H5'" ' O2 ' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.521 -0.714 0 O4'-C4'-C3' 103.726 -1.874 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.675 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.411 -0.657 0 C3'-C2'-C1' 105.248 1.82 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.632 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C4'-C3'-C2' 104.03 0.83 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.541 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C3'-C2'-C1' 102.063 -0.455 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.031 0.443 . . . . 15.0 111.451 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . -165.95 29.62 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.556 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.737 ' HA ' ' P ' ' B' ' 24' ' ' ' DT' . 27.6 mmm-85 -62.87 41.49 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.631 1.345 . . . . 15.0 114.631 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.677 ' CZ ' " H5'" ' A' ' 9' ' ' ' DT' . 0.0 OUTLIER -177.89 -173.88 0.41 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.114 -0.366 . . . . 15.0 110.228 178.376 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.859 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER -179.23 -43.97 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.433 0.901 . . . . 15.0 113.433 176.181 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.859 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 9.8 ptm180 -148.78 142.22 25.28 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.408 0.623 . . . . 15.0 112.248 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 2.0 ptm85 150.73 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.214 -1.357 . . . . 15.0 108.142 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.533 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 8.7 t30 -61.46 -92.58 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.548 -1.206 . . . . 15.0 111.472 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.875 ' CD1' HG21 ' P' ' 40' ' ' ILE . 34.5 m-85 -60.25 109.43 0.98 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.263 0.483 . . . . 15.0 110.73 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.77 171.08 9.75 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 10.0 mtmp? -53.99 -24.65 17.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.702 0.287 . . . . 15.0 111.604 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 12.4 tp-100 -72.35 -47.96 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.618 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.1 -44.11 97.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.566 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.475 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 72.2 p -54.24 -56.97 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.752 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.7 pt-20 -53.49 -41.63 66.44 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.411 0.624 . . . . 15.0 110.924 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' P' ' 38' ' ' SER . 69.6 mt -67.14 -56.39 13.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.304 -0.862 . . . . 15.0 112.657 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.598 HD22 ' HE1' ' P' ' 49' ' ' PHE . 79.1 mt -60.2 -48.68 80.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.552 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.3 p30 -60.32 -53.01 62.69 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.152 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.552 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 65.1 mm-40 -44.06 -39.31 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 15.0 110.909 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.514 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -80.05 -39.1 30.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.76 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.611 ' CE1' HD21 ' P' ' 23' A LEU . 1.2 t80 -53.33 -51.0 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.808 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 69.6 m-85 -60.83 8.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.41 0.522 . . . . 15.0 112.41 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.507 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.9 t -105.42 -22.27 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 15.0 110.43 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' P' ' 23' C ASN . 4.1 m-70 -129.4 35.29 4.26 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.283 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 23' A LEU . . . . . 0.679 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.5 mt -39.97 -63.05 0.64 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.074 0.398 . . . . 15.0 112.074 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 80.5 p -58.39 -9.41 1.56 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 23' C ASN . . . . . 0.46 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 18.1 p30 -160.51 65.74 2.36 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.943 0.402 . . . . 15.0 109.963 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' P' ' 23' A LEU . 8.1 Cg_exo -72.98 67.76 4.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.0 2.467 . . . . 15.0 112.244 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.638 ' O ' ' O ' ' P' ' 26' ' ' PRO . 11.8 m-85 -124.97 103.04 30.83 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.356 -0.838 . . . . 15.0 109.545 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.638 ' O ' ' O ' ' P' ' 25' ' ' TYR . 6.7 Cg_endo -47.73 -151.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.556 2.17 . . . . 15.0 111.786 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 27' ' ' SER . . . . . 1.012 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 54.1 m -158.52 169.85 23.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 106.753 -1.573 . . . . 15.0 106.753 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 66.7 mm-40 -47.77 -51.64 21.6 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.311 -0.556 . . . . 15.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -70.14 -33.8 72.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 15.0 110.581 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 1.012 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -64.0 -56.96 11.27 Favored 'General case' 0 CA--C 1.523 -0.077 0 C-N-CA 121.179 -0.208 . . . . 15.0 110.84 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.649 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.12 -24.26 58.07 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.164 -0.614 . . . . 15.0 109.933 178.62 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' P' ' 28' ' ' GLU . 40.8 mt-10 -75.76 -59.95 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.669 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.5 pt-20 -58.84 -49.68 76.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.13 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.753 HD12 HG11 ' P' ' 45' ' ' VAL . 97.0 mt -55.31 -60.18 3.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.845 0.355 . . . . 15.0 110.43 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.89 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.04 -46.92 26.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 122.019 0.914 . . . . 15.0 109.256 179.322 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.481 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.7 mtpp -67.82 -44.46 77.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 113.839 -1.528 . . . . 15.0 111.392 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.618 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 43.2 m -73.94 -52.38 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.277 -0.874 . . . . 15.0 112.289 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.65 15.56 7.41 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.256 -0.738 . . . . 15.0 111.256 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.892 HD11 HG22 ' P' ' 45' ' ' VAL . 18.4 pt -105.77 -164.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.519 ' O ' ' N ' ' P' ' 44' ' ' GLN . 8.6 t -118.39 141.26 48.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.649 HG13 ' CB ' ' P' ' 31' ' ' LYS . 5.0 t -25.23 -76.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.734 0.302 . . . . 15.0 111.608 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.582 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.0 m -42.77 -29.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.715 0.635 . . . . 15.0 112.715 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.586 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 24.2 tp60 -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.303 0.573 . . . . 15.0 109.834 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.892 HG22 HD11 ' P' ' 40' ' ' ILE . 58.8 t -64.51 -58.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.92 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -52.55 -25.08 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.361 0.6 . . . . 15.0 110.142 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 47' ' ' ASN . . . . . 0.423 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 50.4 t-20 -73.73 -50.23 21.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.053 177.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.509 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 71.5 t90 -58.46 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.188 -0.915 . . . . 15.0 111.901 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.598 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.8 m-85 -48.0 -60.23 2.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.715 -0.675 . . . . 15.0 112.684 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.539 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -44.57 -46.74 8.86 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.71 -0.757 . . . . 15.0 112.926 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.413 ' HA ' HG12 ' P' ' 54' ' ' ILE . 48.8 t-20 -73.38 -30.5 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.751 0.278 . . . . 15.0 111.751 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 21.7 tptm -59.98 -39.71 86.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.896 0.332 . . . . 15.0 111.896 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.669 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.9 ptm85 -70.04 -39.43 75.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.291 0.567 . . . . 15.0 109.53 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.927 HG22 ' HE2' ' P' ' 58' ' ' LYS . 14.7 mm -54.11 -53.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.13 -0.693 . . . . 15.0 109.13 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 38.2 mmt-85 -55.63 -33.73 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.131 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.718 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.1 t80 -52.59 -59.57 4.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.156 0.503 . . . . 15.0 110.44 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.621 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 44.7 mttt -52.21 -19.79 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.995 1.109 . . . . 15.0 113.995 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.927 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.1 mptp? -70.88 -38.81 73.08 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' P' ' 62' ' ' LYS . 17.3 m120 -138.01 41.47 2.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.453 0.909 . . . . 15.0 113.453 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.621 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.0 mm -13.95 -70.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.402 1.26 . . . . 15.0 114.402 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.74 -25.11 35.26 Favored Glycine 0 C--N 1.335 0.521 0 CA-C-N 115.88 -0.6 . . . . 15.0 114.118 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 39.9 ttmt -72.93 -39.46 66.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.121 0.486 . . . . 15.0 110.089 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.718 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.0 m-85 -74.88 -31.7 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -56.01 -59.73 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.412 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.8 tp10 -52.92 -49.15 66.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.507 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 65.7 mm-40 -55.46 -54.52 42.79 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.07 -41.68 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -69.42 -37.36 77.42 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 15.0 110.004 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' P' ' 66' ' ' GLU . 76.5 mt -66.73 -43.3 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 15.0 110.202 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.497 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 14.2 m-85 -73.15 -7.01 49.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.88 -0.6 . . . . 15.0 111.424 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.46 -56.74 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 15.0 111.434 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.53 -23.99 61.87 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.713 0.635 . . . . 15.0 112.713 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' P' ' 70' ' ' TYR . 22.5 ptmt -68.92 -144.88 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.823 -0.351 . . . . 15.0 110.958 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' P' ' 73' ' ' LYS . 13.8 p 76.37 -11.83 1.11 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.989 0.516 . . . . 15.0 111.674 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.68 2.09 35.32 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.67 0.272 . . . . 15.0 111.235 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.521 HG13 ' O ' ' P' ' 76' ' ' VAL . 12.3 p -83.98 117.49 29.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.422 -0.354 . . . . 15.0 111.288 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -146.41 125.89 13.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.264 -0.874 . . . . 15.0 111.103 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.588 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.86 0 C4'-C3'-C2' 104.806 1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.811 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.922 1.656 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.811 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 101.717 -0.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.643 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C1'-O4'-C4' 110.35 0.464 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.643 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 103.808 0.608 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.632 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C3'-C2'-C1' 100.94 -1.257 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.817 " H1'" ' O ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C3'-C2'-C1' 104.862 1.545 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.802 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 107.048 0.862 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.886 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.516 -2.274 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.886 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.823 0 N19-C1'-C2' 112.007 -1.371 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.556 " H5'" H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-C2' 107.554 1.321 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.526 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 106.819 0.654 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.579 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 107.664 1.422 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.579 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C4'-C3'-C2' 103.926 0.726 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.444 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.656 0 O5'-C5'-C4' 110.915 0.511 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.554 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C1'-O4'-C4' 110.309 0.435 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.554 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.398 1.18 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.747 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 101.877 -0.588 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.747 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C3'-C2'-C1' 101.142 -1.113 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.904 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 99.828 -2.051 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.904 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.535 0.97 0 C2'-C3'-O3' 114.357 1.392 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.813 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 O4'-C1'-C2' 108.14 1.855 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.719 " C2'" ' H71' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 N19-C1'-C2' 116.507 1.442 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 1.052 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.84 0 O4'-C1'-N19 109.084 1.605 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.735 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C4'-C3' 103.767 -1.833 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.735 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.438 0.529 0 C3'-C2'-C1' 104.98 1.628 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.63 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C4'-C3' 106.216 0.616 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.506 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 C3'-C2'-C1' 102.052 -0.463 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.801 0.334 . . . . 15.0 111.265 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.849 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . -167.02 158.91 12.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.467 . . . . 15.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.535 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 66.6 mtt85 -52.0 -85.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 15.0 112.271 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.577 ' HG3' " O3'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -176.37 -179.55 1.07 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.295 0.48 . . . . 15.0 112.295 -178.336 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 1.052 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.47 -49.18 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.127 177.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.804 ' CB ' ' HD3' ' P' ' 4' ' ' LYS . 28.9 mtp85 -159.86 -37.23 0.06 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.085 0.402 . . . . 15.0 112.085 -177.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -31.0 -31.22 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.969 0.508 . . . . 15.0 112.204 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' P' ' 5' ' ' ARG . 4.6 t-20 -55.71 -94.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.393 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.625 ' CD2' HG21 ' P' ' 40' ' ' ILE . 5.0 m-85 -69.21 108.51 3.67 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.672 0.669 . . . . 15.0 111.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -67.78 174.26 3.75 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.43 ' HB2' ' HZ1' ' P' ' 10' ' ' LYS . 9.9 mtmp? -58.1 -17.7 19.94 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.553 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 40.1 tt0 -74.1 -48.09 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 15.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.667 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.67 -43.04 94.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.888 -0.597 . . . . 15.0 111.802 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.482 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 54.3 p -55.66 -56.25 22.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.014 -0.539 . . . . 15.0 111.737 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.3 pt-20 -54.17 -38.55 65.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.213 0.53 . . . . 15.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.414 HG13 ' HG3' ' P' ' 14' ' ' GLU . 49.4 mt -73.27 -54.56 15.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.837 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.661 HD22 ' HE1' ' P' ' 49' ' ' PHE . 73.4 mt -62.26 -43.92 97.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -178.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 22.5 p30 -60.43 -53.0 62.81 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.244 -0.583 . . . . 15.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 96.8 mt-10 -46.04 -45.33 15.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 15.0 111.061 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.696 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.9 t80 -71.35 -41.08 70.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 15.0 110.038 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.809 ' CE1' HD21 ' P' ' 23' A LEU . 0.5 OUTLIER -52.49 -49.47 64.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.992 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.4 m-85 -61.05 14.19 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.107 0.78 . . . . 15.0 113.107 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.494 ' H ' ' C ' ' P' ' 20' ' ' PHE . 80.9 p -115.96 -20.87 9.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.893 0.315 . . . . 15.0 110.903 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' P' ' 24' ' ' PRO . 3.6 m-70 -129.47 34.56 4.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.624 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 23' A LEU . . . . . 0.809 HD21 ' CE1' ' P' ' 20' ' ' PHE . 1.3 mt -39.77 -58.09 1.42 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.893 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 52.3 m -64.61 -12.28 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.582 0.586 . . . . 15.0 112.582 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 23' C ASN . . . . . 0.512 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 45.2 t30 -165.13 60.94 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.702 0.286 . . . . 15.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.581 ' C ' ' HD1' ' P' ' 25' ' ' TYR . 7.4 Cg_exo -73.36 83.72 1.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.995 2.463 . . . . 15.0 111.959 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.581 ' HD1' ' C ' ' P' ' 24' ' ' PRO . 2.5 m-30 -121.46 92.38 48.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.714 -0.847 . . . . 15.0 108.714 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.838 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.2 Cg_endo -63.73 91.12 0.16 Allowed 'Trans proline' 0 CA--C 1.509 -0.736 0 C-N-CA 122.837 2.358 . . . . 15.0 111.217 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.426 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 46.7 t -41.22 168.74 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.229 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -43.91 -46.66 8.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.678 -0.692 . . . . 15.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.65 -35.55 75.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.386 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.747 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -62.89 -58.28 7.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.835 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.868 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.42 -22.83 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.972 0.415 . . . . 15.0 110.367 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.515 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 37.7 mt-10 -75.82 -59.58 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.7 pt-20 -58.64 -49.29 78.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.766 -0.457 . . . . 15.0 109.766 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.689 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -52.98 -60.91 2.69 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 121.117 0.484 . . . . 15.0 109.929 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.91 -30.92 59.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.606 -0.725 . . . . 15.0 112.453 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.87 -45.38 35.88 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 122.083 0.945 . . . . 15.0 109.298 179.304 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -67.61 -46.99 70.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 113.77 -1.559 . . . . 15.0 111.712 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.667 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 61.1 m -74.13 -53.03 10.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 15.0 112.627 -178.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.14 20.67 5.13 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.202 -0.759 . . . . 15.0 111.202 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.703 HD11 HG22 ' P' ' 45' ' ' VAL . 9.7 pt -107.01 -165.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.521 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.2 t -119.85 140.02 51.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.505 -0.924 . . . . 15.0 108.505 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.868 HG13 ' HG3' ' P' ' 31' ' ' LYS . 10.0 t -24.36 -75.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.133 0.492 . . . . 15.0 112.202 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.558 ' N ' HG12 ' P' ' 42' ' ' VAL . 49.0 m -43.07 -30.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.317 0.858 . . . . 15.0 113.317 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.563 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 38.0 mm-40 -66.73 -41.0 88.6 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.4 -0.52 . . . . 15.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.774 HG12 ' HG3' ' P' ' 26' ' ' PRO . 79.3 t -53.73 -54.43 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.637 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.33 -28.76 55.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.228 0.537 . . . . 15.0 110.399 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 47' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 52.1 t-20 -73.79 -51.93 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.35 -0.841 . . . . 15.0 109.622 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.612 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 54.8 t90 -56.97 -58.02 9.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.343 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.661 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.6 m-85 -47.92 -54.69 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.165 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -50.51 -38.7 35.61 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.55 -0.833 . . . . 15.0 112.909 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.457 ' HA ' HG12 ' P' ' 54' ' ' ILE . 32.7 m120 -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.811 0.3 . . . . 15.0 111.811 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.579 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.3 mmmm -53.01 -40.06 63.57 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.904 0.335 . . . . 15.0 111.904 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.856 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.5 ptp180 -66.5 -38.96 88.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 15.0 109.167 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.837 HG22 ' HE3' ' P' ' 58' ' ' LYS . 13.8 mm -55.5 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.474 -0.784 . . . . 15.0 109.049 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 27.2 mmm180 -49.64 -32.48 13.17 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.088 0.47 . . . . 15.0 110.603 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.856 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 68.9 t80 -53.73 -62.73 1.46 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.365 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.777 ' HA ' HD11 ' P' ' 60' ' ' ILE . 72.4 mmtt -45.67 -21.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.402 0.89 . . . . 15.0 113.402 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.837 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.3 OUTLIER -87.31 -36.1 18.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 15.0 110.865 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.654 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.1 p30 -134.93 30.2 3.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.846 1.054 . . . . 15.0 113.846 -176.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.822 HD12 ' CE2' ' P' ' 56' ' ' TYR . 38.3 mm -13.37 -68.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 114.818 1.414 . . . . 15.0 114.818 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.31 -21.87 9.36 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 114.365 0.506 . . . . 15.0 114.365 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.654 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 1.5 tmtp? -69.59 -39.12 77.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.698 0.285 . . . . 15.0 110.719 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.71 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.6 m-85 -77.52 -24.0 50.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -62.48 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.722 -0.391 . . . . 15.0 110.281 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.459 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.0 tt0 -51.28 -48.22 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 15.0 110.252 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 64.1 mm-40 -59.35 -51.86 68.12 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.408 -0.59 . . . . 15.0 109.408 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' P' ' 63' ' ' PHE . . . -43.79 -42.43 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.131 -0.941 . . . . 15.0 110.135 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.46 -38.43 77.75 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 121.111 0.481 . . . . 15.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.459 HG13 ' O ' ' P' ' 65' ' ' GLU . 78.2 mt -63.44 -46.67 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.788 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.47 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 17.2 m-85 -73.31 -7.65 52.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.572 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.913 ' O ' HG23 ' P' ' 74' ' ' THR . . . -81.83 -58.58 2.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.976 0.417 . . . . 15.0 111.187 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.43 -23.29 57.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 15.0 112.074 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' P' ' 73' ' ' LYS . 0.1 OUTLIER -88.34 52.88 2.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.874 0.369 . . . . 15.0 111.648 -179.405 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.913 HG23 ' O ' ' P' ' 71' ' ' ALA . 52.4 p -89.94 147.33 23.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.47 -0.332 . . . . 15.0 110.727 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 67.86 20.46 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.325 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.484 HG13 ' N ' ' P' ' 77' ' ' THR . 11.0 p -85.23 -45.86 17.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.557 -0.292 . . . . 15.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 77' ' ' THR . . . . . 0.484 ' N ' HG13 ' P' ' 76' ' ' VAL . 9.5 t 47.61 37.79 7.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.404 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 78' ' ' ALA . . . . . 0.436 ' HB2' ' OE1' ' P' ' 14' ' ' GLU . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.2 -0.905 . . . . 15.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.582 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.85 0 C4'-C3'-C2' 104.806 1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.723 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.95 1.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.723 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-C1' 101.774 -0.661 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.482 ' C6 ' H2'' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C1'-O4'-C4' 110.329 0.449 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.592 " H2'" ' H72' ' A' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.818 0 C3'-C2'-C1' 101.208 -1.066 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.689 ' O2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.964 0 C3'-C2'-C1' 100.181 -1.799 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 1.069 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.512 -0.573 0 C4'-C3'-C2' 101.792 -1.408 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 1.069 ' C8 ' H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 99.11 -2.564 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.896 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.307 0 C3'-C2'-C1' 99.273 -2.448 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.896 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.584 0 N19-C1'-C2' 111.911 -1.431 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.47 " H5'" " H1'" ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.354 1.14 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.421 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 C1'-O4'-C4' 110.338 0.456 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.364 1.149 . . . . 15.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.41 -0.799 0 C4'-C3'-C2' 104.156 0.956 . . . . 15.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.457 ' N3 ' " O4'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 O5'-C5'-C4' 110.919 0.514 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.681 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-C1' 101.8 -0.643 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.681 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.52 -0.792 0 O4'-C4'-C3' 104.08 -1.52 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.798 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C2'-C3'-O3' 113.214 0.968 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.798 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 C3'-C2'-C1' 101.532 -0.834 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.999 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 98.911 -2.707 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.999 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -0.989 0 C4'-C3'-C2' 100.652 -2.548 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.525 " C2'" ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.954 0 C3'-C2'-C1' 104.763 1.473 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.762 " C2'" ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.818 0 O4'-C1'-N19 108.579 0.974 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.762 ' H72' " C2'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 C3'-C2'-C1' 100.698 -1.43 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.715 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-N19 107.001 -0.998 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.715 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.439 0.597 0 C3'-C2'-C1' 105.211 1.794 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.657 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C4'-C3' 106.393 0.793 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.503 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C3'-C2'-C1' 102.018 -0.487 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 0' ' ' MET . . . . . 0.853 ' O ' " H4'" ' A' ' 9' ' ' ' DT' . 4.7 mmt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.717 0.294 . . . . 15.0 111.032 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.541 ' HA ' ' NH2' ' P' ' 3' ' ' ARG . . . -70.21 -34.11 72.51 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.13 0.491 . . . . 15.0 111.213 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.634 ' HA ' " O3'" ' B' ' 23' ' ' ' DA' . 11.5 mmt85 -51.31 85.37 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.406 -0.816 . . . . 15.0 111.579 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.561 ' HD2' ' O ' ' P' ' 3' ' ' ARG . 0.1 OUTLIER -156.75 156.17 32.87 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.414 -179.564 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.821 ' O ' " H5'" ' A' ' 8' ' ' ' DA' . 9.6 tptm -177.25 -73.47 0.01 OUTLIER 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 112.329 0.492 . . . . 15.0 112.329 177.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.778 ' HB3' ' HE2' ' P' ' 4' ' ' LYS . 12.5 ptm180 -148.88 159.3 44.3 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 113.039 0.755 . . . . 15.0 113.039 -177.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 6.8 ptm180 142.96 -25.19 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 113.701 -1.591 . . . . 15.0 108.211 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 7' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 9.7 t30 -64.29 -93.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.2 -1.364 . . . . 15.0 112.616 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.98 ' CD1' HG21 ' P' ' 40' ' ' ILE . 49.2 m-85 -61.04 109.04 0.97 Allowed 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 121.995 -0.441 . . . . 15.0 111.139 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -69.0 175.46 3.71 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.329 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 10' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -59.47 -15.11 15.45 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.201 0.445 . . . . 15.0 112.201 -179.06 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.574 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 33.3 tp60 -78.63 -47.36 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.252 0.549 . . . . 15.0 110.073 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.631 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.12 -42.77 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.566 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.0 p -54.98 -56.08 23.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.655 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.0 pt-20 -54.46 -38.83 66.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.22 0.534 . . . . 15.0 110.992 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' P' ' 38' ' ' SER . 67.2 mt -71.61 -54.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 15.0 112.534 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.65 HD22 ' HE1' ' P' ' 49' ' ' PHE . 76.6 mt -61.36 -46.4 90.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.237 0.458 . . . . 15.0 112.237 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -61.28 -52.4 64.89 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.465 -0.494 . . . . 15.0 111.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.2 mt-10 -47.95 -39.16 18.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 15.0 111.032 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.453 ' HD2' HD11 ' P' ' 34' ' ' LEU . 14.9 t80 -79.57 -38.43 34.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.595 ' CZ ' ' CD2' ' P' ' 23' A LEU . 21.4 t80 -51.18 -49.53 60.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.491 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 61.5 m-85 -61.48 9.12 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.3 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.505 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.8 t -111.93 -24.74 9.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 15.0 110.512 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' P' ' 24' ' ' PRO . 2.7 m-70 -123.06 35.53 4.85 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.814 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 23' A LEU . . . . . 0.595 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.3 mt -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.825 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.7 t -59.69 -18.15 40.04 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.124 0.416 . . . . 15.0 112.124 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 23' C ASN . . . . . 0.498 ' O ' ' ND2' ' P' ' 23' C ASN . 0.5 OUTLIER -155.59 66.74 4.73 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 15.0 110.881 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' P' ' 23' A LEU . 17.4 Cg_exo -68.18 87.87 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.887 2.391 . . . . 15.0 112.089 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.495 ' CE1' " H3'" ' B' ' 17' ' ' ' DG' . 15.8 m-85 -132.99 86.26 43.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.795 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.795 ' C ' ' HB3' ' P' ' 30' ' ' ALA . 74.5 Cg_endo -64.05 86.14 0.15 Allowed 'Trans proline' 0 CA--C 1.51 -0.684 0 C-N-CA 122.388 2.059 . . . . 15.0 110.35 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.471 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 44.1 t -39.88 168.91 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.464 -0.789 . . . . 15.0 111.368 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -44.14 -46.89 8.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.302 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -70.43 -32.85 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.721 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.795 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -67.26 -58.24 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 15.0 110.545 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.869 ' HG3' HG13 ' P' ' 42' ' ' VAL . 3.2 ptmt -59.39 -23.97 63.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.043 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.513 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.4 mt-10 -75.51 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.8 pt-20 -58.17 -48.85 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.188 -0.671 . . . . 15.0 109.188 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.695 HD12 HG11 ' P' ' 45' ' ' VAL . 96.0 mt -53.07 -61.75 2.1 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 15.0 109.98 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.444 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.75 -31.6 49.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 15.0 112.078 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.96 -44.57 39.23 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.967 0.889 . . . . 15.0 109.254 179.483 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.427 ' C ' HD13 ' P' ' 15' ' ' ILE . 25.7 mtpp -68.03 -46.61 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 113.89 -1.505 . . . . 15.0 111.449 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.631 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.4 m -73.65 -52.47 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.375 -0.83 . . . . 15.0 112.222 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.75 21.93 5.21 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.933 -0.867 . . . . 15.0 110.933 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.98 HG21 ' CD1' ' P' ' 8' ' ' PHE . 14.6 pt -109.76 -162.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.654 HG22 ' OE1' ' P' ' 44' ' ' GLN . 11.1 t -120.92 143.37 49.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.556 -0.905 . . . . 15.0 108.556 177.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.869 HG13 ' HG3' ' P' ' 31' ' ' LYS . 24.0 t -26.0 -75.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.454 0.471 . . . . 15.0 111.643 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.448 ' N ' HG12 ' P' ' 42' ' ' VAL . 53.0 m -42.6 -31.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.415 0.894 . . . . 15.0 113.415 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.654 ' OE1' HG22 ' P' ' 41' ' ' THR . 85.8 mt-30 -67.04 -35.91 80.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.422 -0.511 . . . . 15.0 110.238 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.794 HG22 HD11 ' P' ' 40' ' ' ILE . 59.1 t -61.93 -58.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.458 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -54.37 -26.56 30.85 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.337 0.589 . . . . 15.0 110.028 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 47' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 48.3 t-20 -73.85 -51.03 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.207 -0.906 . . . . 15.0 109.151 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.48 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 70.9 t90 -57.29 -59.92 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.849 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.65 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.7 m-85 -48.44 -55.66 10.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.536 -0.756 . . . . 15.0 110.618 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.515 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -33.6 -65.65 0.29 Allowed Glycine 0 CA--C 1.519 0.322 0 CA-C-N 116.09 -0.504 . . . . 15.0 113.229 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.491 ' H ' HD21 ' P' ' 51' ' ' ASN . 1.4 m-80 -71.81 -18.48 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.882 0.327 . . . . 15.0 111.882 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 54.6 tptt -58.76 -41.91 87.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.635 0.255 . . . . 15.0 111.191 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.595 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.3 ptt-85 -76.1 -40.42 53.04 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.998 -0.742 . . . . 15.0 108.998 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.911 HG22 ' HE3' ' P' ' 58' ' ' LYS . 17.9 mm -54.72 -53.28 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 N-CA-C 107.323 -1.362 . . . . 15.0 107.323 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.431 ' CA ' ' HD3' ' P' ' 58' ' ' LYS . 0.0 OUTLIER -51.6 -44.13 62.73 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.514 -0.766 . . . . 15.0 109.745 177.651 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.608 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.2 t80 -48.91 -57.26 6.72 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.992 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 77.8 mttt -52.29 -18.0 1.38 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.198 1.185 . . . . 15.0 114.198 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.911 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -69.12 -36.89 78.0 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.888 -0.782 . . . . 15.0 108.888 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' P' ' 62' ' ' LYS . 38.0 m-80 -140.54 46.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.397 -0.819 . . . . 15.0 113.176 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.583 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 48.4 mm -13.79 -71.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 115.079 1.511 . . . . 15.0 115.079 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.76 -26.19 57.18 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 116.048 -0.524 . . . . 15.0 114.236 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' P' ' 59' ' ' ASN . 1.2 tmtp? -66.14 -39.76 90.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.951 0.405 . . . . 15.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.608 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 31.5 m-85 -79.66 -21.46 44.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.293 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 64' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 36.3 mt-30 -60.81 -58.8 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.431 ' O ' HG13 ' P' ' 69' ' ' ILE . 40.9 tp10 -52.42 -49.01 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 15.0 109.811 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' P' ' 69' ' ' ILE . 65.5 mm-40 -57.4 -51.91 67.51 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.049 -0.723 . . . . 15.0 109.049 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.34 -41.79 4.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.888 -1.051 . . . . 15.0 110.491 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -72.51 -35.63 68.15 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.943 0.402 . . . . 15.0 110.412 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.431 HG13 ' O ' ' P' ' 65' ' ' GLU . 75.7 mt -64.48 -55.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.565 . . . . 15.0 110.975 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.454 ' HA ' ' HG2' ' P' ' 73' ' ' LYS . 32.6 m-85 -66.61 -24.38 66.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -65.67 -59.45 3.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.278 -0.419 . . . . 15.0 111.188 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.47 -22.46 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 15.0 112.213 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.578 ' O ' HG22 ' P' ' 74' ' ' THR . 19.5 ptpt -94.65 164.5 12.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.585 0.231 . . . . 15.0 111.212 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.578 HG22 ' O ' ' P' ' 73' ' ' LYS . 8.9 t 52.13 125.45 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.7 -0.682 . . . . 15.0 112.082 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 70.58 9.89 7.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.679 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 76' ' ' VAL . . . . . 0.48 HG13 ' N ' ' P' ' 77' ' ' THR . 11.6 p -86.1 -45.62 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 15.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 77' ' ' THR . . . . . 0.576 HG23 ' O ' ' P' ' 77' ' ' THR . 8.7 t -94.75 84.44 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.313 -0.851 . . . . 15.0 111.109 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . 0.917 H2'' " O5'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.789 0 C4'-C3'-C2' 104.611 1.411 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.917 " O5'" H2'' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 105.279 1.842 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.651 ' N2 ' ' N3 ' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.407 -0.964 0 C1'-O4'-C4' 108.046 -1.182 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.686 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 C1'-O4'-C4' 110.318 0.442 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ' DA' . . . . . 0.686 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C3'-C2'-C1' 101.712 -0.706 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ' DT' . . . . . 0.651 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C3'-C2'-C1' 100.694 -1.433 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.783 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 C3'-C2'-C1' 105.099 1.714 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.783 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-C2' 107.147 0.952 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.86 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C3'-C2'-C1' 99.042 -2.613 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.86 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.748 0 N19-C1'-C2' 112.027 -1.358 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.514 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 104.642 1.442 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ' DC' . . . . . 0.514 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 106.878 0.707 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.627 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 107.66 1.418 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ' DC' . . . . . 0.627 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C5'-C4'-O4' 108.612 -0.493 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.442 ' N3 ' " O4'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O5'-C5'-C4' 110.99 0.564 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.461 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 101.859 -0.601 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.461 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.219 1.018 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . 0.747 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C2'-C3'-O3' 112.816 0.821 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.747 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-C1' 101.718 -0.701 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . 0.982 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C3'-C2'-C1' 99.312 -2.42 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.982 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.517 -1.054 0 C4'-C3'-C2' 100.566 -2.634 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.8 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.407 -0.982 0 C3'-C2'-C1' 105.102 1.716 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . 0.8 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 100.403 -1.64 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ' DT' . . . . . 0.814 " C1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.923 0 C3'-C2'-C1' 100.165 -1.811 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ' DG' . . . . . 0.675 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C4'-C3' 104.372 -1.228 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ' DC' . . . . . 0.675 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C3'-C2'-C1' 105.367 1.905 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.651 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C4'-C3'-C2' 104.05 0.85 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . 0.517 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 101.924 -0.554 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.945 0.402 . . . . 15.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.567 ' CB ' " H3'" ' B' ' 24' ' ' ' DT' . . . -73.66 -174.27 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 15.0 111.494 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 2' ' ' ARG . . . . . 0.506 ' HG3' ' H ' ' P' ' 3' ' ' ARG . 18.8 ptp180 -55.11 -68.23 0.21 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.96 -179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.552 ' HB3' " H5'" ' A' ' 9' ' ' ' DT' . 0.2 OUTLIER -177.74 145.48 0.4 Allowed 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 122.088 -0.382 . . . . 15.0 111.481 179.722 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 4' ' ' LYS . . . . . 0.814 ' HG2' " C1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -178.54 -65.69 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 119.894 -0.722 . . . . 15.0 111.952 177.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.629 ' HG2' ' HD2' ' P' ' 4' ' ' LYS . 12.2 ptm180 -168.7 162.19 11.61 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.658 -0.417 . . . . 15.0 111.681 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 21.5 ptt-85 136.21 -28.77 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.559 -1.2 . . . . 15.0 108.375 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -56.6 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.525 -1.216 . . . . 15.0 111.986 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.734 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.4 OUTLIER -69.75 107.68 3.59 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.867 0.365 . . . . 15.0 111.982 -178.509 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -71.12 -178.73 2.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.025 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -59.5 -16.01 21.61 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.363 0.505 . . . . 15.0 112.363 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 11' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 32.7 tp60 -78.56 -47.7 16.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.263 0.554 . . . . 15.0 110.403 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 12' ' ' ALA . . . . . 0.636 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.9 -39.7 93.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.676 -0.693 . . . . 15.0 111.73 -179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 13' ' ' THR . . . . . 0.486 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -59.11 -54.39 47.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.11 -0.495 . . . . 15.0 111.67 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 14' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.2 pt-20 -54.7 -37.63 66.05 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.25 0.547 . . . . 15.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 15' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' P' ' 38' ' ' SER . 68.2 mt -72.92 -55.46 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.948 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 16' ' ' LEU . . . . . 0.625 HD22 ' HE1' ' P' ' 49' ' ' PHE . 71.5 mt -61.63 -43.08 99.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.849 0.685 . . . . 15.0 112.849 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 17' ' ' ASN . . . . . 0.502 HD21 ' HA ' ' P' ' 14' ' ' GLU . 23.2 p30 -60.83 -52.25 65.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.259 -0.577 . . . . 15.0 111.029 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.763 ' HB3' HG22 ' P' ' 74' ' ' THR . 51.6 mt-10 -47.11 -36.29 8.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.508 -0.315 . . . . 15.0 111.413 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 19' ' ' TYR . . . . . 0.667 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -80.75 -44.53 18.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 15.0 110.796 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.568 ' C ' ' H ' ' P' ' 22' ' ' SER . 3.4 t80 -49.41 -45.67 46.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.238 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 21' ' ' TYR . . . . . 0.521 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.4 m-85 -59.67 12.32 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.534 0.568 . . . . 15.0 112.534 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 22' ' ' SER . . . . . 0.568 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.1 m -116.74 -21.05 9.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.34 . . . . 15.0 110.552 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 23' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' P' ' 24' ' ' PRO . 2.6 m-70 -122.88 34.39 5.15 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.168 -0.469 . . . . 15.0 110.703 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 23' A LEU . . . . . 0.546 ' CD2' ' CE1' ' P' ' 20' ' ' PHE . 2.1 mt -45.19 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.883 0.697 . . . . 15.0 112.883 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.5 t -74.69 14.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.525 0.565 . . . . 15.0 112.525 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 23' C ASN . . . . . 0.609 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 0.5 OUTLIER -173.5 56.07 0.19 Allowed Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 24' ' ' PRO . . . . . 0.609 ' HD3' ' N ' ' P' ' 23' C ASN . 7.0 Cg_exo -74.74 100.37 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.871 2.38 . . . . 15.0 115.094 -177.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 25' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.6 OUTLIER -154.75 98.89 2.43 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.761 -1.109 . . . . 15.0 109.509 176.131 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 26' ' ' PRO . . . . . 0.82 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 78.2 Cg_endo -65.88 105.08 0.76 Allowed 'Trans proline' 0 CA--C 1.514 -0.512 0 C-N-CA 123.109 2.54 . . . . 15.0 112.135 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 27' ' ' SER . . . . . 0.457 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 56.1 m -42.17 162.51 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.548 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 28' ' ' GLU . . . . . 0.68 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -43.36 -44.42 5.61 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.114 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.99 -32.27 69.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.927 0.394 . . . . 15.0 110.344 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.667 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -62.51 -57.14 12.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.99 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 31' ' ' LYS . . . . . 0.82 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -58.36 -23.13 55.93 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 120.52 -0.472 . . . . 15.0 110.313 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 32' ' ' GLU . . . . . 0.508 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 44.4 mt-10 -75.56 -59.18 2.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.242 -0.651 . . . . 15.0 109.242 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.5 pt-20 -58.48 -50.2 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.933 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.784 HD12 HG11 ' P' ' 45' ' ' VAL . 96.5 mt -53.31 -62.17 1.83 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.98 0.419 . . . . 15.0 110.284 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 35' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.66 -31.78 38.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 15.0 112.029 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 36' ' ' LYS . . . . . 0.512 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.01 -43.89 42.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.946 0.879 . . . . 15.0 109.408 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 37' ' ' LYS . . . . . 0.419 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.7 mtpp -68.41 -48.38 64.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.039 -1.437 . . . . 15.0 111.619 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.636 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.1 m -73.59 -52.17 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.44 -0.8 . . . . 15.0 112.148 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.19 23.37 4.89 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.134 -0.786 . . . . 15.0 111.134 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 40' ' ' ILE . . . . . 0.78 HD11 HG22 ' P' ' 45' ' ' VAL . 17.2 pt -109.26 -162.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 41' ' ' THR . . . . . 0.539 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -120.47 142.01 49.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.326 -0.99 . . . . 15.0 108.326 177.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 42' ' ' VAL . . . . . 0.813 HG13 ' HG3' ' P' ' 31' ' ' LYS . 7.2 t -25.49 -75.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.842 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 43' ' ' SER . . . . . 0.552 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.3 m -42.43 -31.26 0.4 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.372 0.879 . . . . 15.0 113.372 -178.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 44' ' ' GLN . . . . . 0.539 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 40.3 mm-40 -66.51 -36.18 82.08 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.457 -0.497 . . . . 15.0 110.288 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 45' ' ' VAL . . . . . 0.784 HG11 HD12 ' P' ' 34' ' ' LEU . 59.7 t -60.77 -57.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.574 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -54.7 -28.87 50.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.297 0.57 . . . . 15.0 110.277 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.66 -51.74 15.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.11 178.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 48' ' ' TRP . . . . . 0.534 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 57.4 t90 -56.99 -58.8 6.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.956 -1.02 . . . . 15.0 110.603 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 49' ' ' PHE . . . . . 0.625 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.7 m-85 -48.4 -54.96 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.588 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 50' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -33.41 -62.43 0.39 Allowed Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.976 -0.557 . . . . 15.0 113.952 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 51' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' P' ' 48' ' ' TRP . 9.3 p-10 -67.73 -17.17 64.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.83 0.678 . . . . 15.0 112.83 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 52' ' ' LYS . . . . . 0.514 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.6 mmmt -60.16 -51.23 70.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.217 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.738 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.5 ptt-85 -65.74 -41.87 91.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 54' ' ' ILE . . . . . 0.829 HG22 ' HE2' ' P' ' 58' ' ' LYS . 27.1 mm -54.62 -55.86 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.205 -0.665 . . . . 15.0 109.205 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.49 ' NH2' ' N7 ' ' A' ' 7' ' ' ' DG' . 14.0 mmt85 -55.63 -33.15 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.682 0.277 . . . . 15.0 110.963 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 56' ' ' TYR . . . . . 0.738 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 5.2 t80 -49.69 -57.78 6.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.322 0.582 . . . . 15.0 110.149 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 57' ' ' LYS . . . . . 0.607 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 34.2 mttt -52.67 -21.58 4.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.829 ' HE2' HG22 ' P' ' 54' ' ' ILE . 2.2 mptp? -72.31 -39.82 67.94 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.384 -0.599 . . . . 15.0 109.384 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.6 m-20 -136.43 43.6 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.481 -0.781 . . . . 15.0 113.063 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 60' ' ' ILE . . . . . 0.607 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 35.3 mm -13.51 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 115.093 1.516 . . . . 15.0 115.093 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.88 -24.47 54.03 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-N 115.867 -0.606 . . . . 15.0 114.465 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 62' ' ' LYS . . . . . 0.449 ' O ' ' HD3' ' P' ' 62' ' ' LYS . 7.5 tmtm? -65.72 -40.38 92.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.151 0.501 . . . . 15.0 109.91 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 63' ' ' PHE . . . . . 0.708 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 31.0 m-85 -79.94 -24.42 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.798 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 64' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 81.9 mt-30 -55.07 -65.19 0.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 65' ' ' GLU . . . . . 0.441 ' O ' HG13 ' P' ' 69' ' ' ILE . 41.6 tp10 -52.25 -45.77 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.627 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 66' ' ' GLU . . . . . 0.666 ' OE1' HD12 ' P' ' 69' ' ' ILE . 5.4 mm-40 -55.7 -53.81 52.01 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 67' ' ' ALA . . . . . 0.682 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.89 -43.57 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.704 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.96 -33.79 66.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.028 0.442 . . . . 15.0 110.422 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 69' ' ' ILE . . . . . 0.666 HD12 ' OE1' ' P' ' 66' ' ' GLU . 96.9 mt -64.95 -62.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.923 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 70' ' ' TYR . . . . . 0.713 ' O ' HG23 ' P' ' 74' ' ' THR . 65.4 m-85 -66.4 -26.64 67.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.419 -0.81 . . . . 15.0 111.514 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 71' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.92 -56.87 16.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 15.0 111.195 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.1 -48.54 67.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 15.0 112.117 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 73' ' ' LYS . . . . . 0.465 ' O ' ' OG1' ' P' ' 74' ' ' THR . 0.1 OUTLIER -68.91 -101.87 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.712 0.264 . . . . 15.0 111.712 -179.444 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 74' ' ' THR . . . . . 0.763 HG22 ' HB3' ' P' ' 18' ' ' GLU . 71.9 p 59.45 151.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.94 0.4 . . . . 15.0 110.937 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 75' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 69.51 11.05 7.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 15.0 111.533 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.13 140.22 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.859 0.361 . . . . 15.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -93.47 -38.57 11.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.773 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.199 -0.905 . . . . 15.0 111.126 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 113.802 1.038 . . . . 15.0 113.802 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 35.2 t30 -55.27 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.908 0.336 . . . . 15.0 111.908 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.93 ' CD1' HG21 ' P' ' 40' ' ' ILE . 30.0 m-85 -57.0 100.49 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 118.55 0.614 . . . . 15.0 111.699 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -68.35 176.41 2.82 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.765 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' P' ' 10' ' ' LYS . 1.0 OUTLIER -55.72 -20.13 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.957 0.355 . . . . 15.0 111.957 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.5 tp-100 -75.29 -47.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 15.0 110.806 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.612 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.82 -41.71 97.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.886 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -56.24 -55.04 38.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 15.0 111.49 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 23.1 pt-20 -54.99 -40.55 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 15.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.449 HG13 ' HG3' ' P' ' 14' ' ' GLU . 46.7 mt -72.72 -55.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.307 0.854 . . . . 15.0 113.307 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.67 HD22 ' HE1' ' P' ' 49' ' ' PHE . 67.3 mt -59.32 -42.98 92.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 7.0 p30 -60.6 -53.36 58.36 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.504 -0.479 . . . . 15.0 111.162 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 49.7 mt-10 -46.45 -43.65 16.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.467 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.469 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 15.7 t80 -76.89 -38.29 53.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 15.0 110.203 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' P' ' 23' A LEU . 0.5 OUTLIER -52.19 -48.57 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.009 178.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.455 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 64.5 m-85 -63.66 11.02 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.459 ' H ' ' C ' ' P' ' 20' ' ' PHE . 60.0 p -114.17 -23.22 9.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.752 0.31 . . . . 15.0 110.325 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.401 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 47.8 m170 -121.85 34.68 5.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.115 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.83 HD21 ' CE1' ' P' ' 20' ' ' PHE . 6.5 mt -46.42 -56.79 5.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.81 0.338 . . . . 15.0 110.555 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 53.9 m -58.21 -7.54 0.86 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.347 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 23' C ASN . . . . . . . . . . . . . 74.7 m-80 -142.53 75.13 19.26 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 108.611 -0.885 . . . . 15.0 108.611 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.516 ' HD3' ' O ' ' P' ' 23' A LEU . 33.3 Cg_endo -63.88 48.93 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.604 2.869 . . . . 15.0 114.253 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.2 p90 -154.8 122.53 2.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.658 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.652 ' HG3' HG12 ' P' ' 45' ' ' VAL . 11.8 Cg_endo -51.45 -150.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.212 2.608 . . . . 15.0 112.105 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.993 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 51.5 m -145.82 168.82 19.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.361 -1.718 . . . . 15.0 106.361 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 24.3 pt-20 -50.26 -52.45 36.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 118.906 0.776 . . . . 15.0 110.968 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 12.5 pt-20 -70.78 -29.78 66.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.978 -0.289 . . . . 15.0 110.598 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.993 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -65.51 -55.62 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.608 -0.269 . . . . 15.0 110.662 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.732 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.18 -23.4 62.2 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.186 -0.606 . . . . 15.0 110.202 178.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.511 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 94.2 mt-10 -75.75 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.87 -0.605 . . . . 15.0 109.823 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.58 -48.77 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.127 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.604 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -54.71 -61.36 2.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.106 0.479 . . . . 15.0 110.598 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.424 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.02 -30.34 59.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 15.0 112.139 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.4 OUTLIER -76.37 -46.32 27.94 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 122.123 0.963 . . . . 15.0 109.362 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.95 -46.69 73.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 113.715 -1.584 . . . . 15.0 111.712 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.612 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.5 m -73.94 -52.35 13.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.55 -0.75 . . . . 15.0 112.154 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.85 19.33 5.68 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.15 -0.78 . . . . 15.0 111.15 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.93 HG21 ' CD1' ' P' ' 8' ' ' PHE . 17.8 pt -107.59 -163.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.628 -0.508 . . . . 15.0 109.628 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.497 HG22 ' CD ' ' P' ' 44' ' ' GLN . 10.4 t -121.15 143.34 49.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.569 -0.9 . . . . 15.0 108.569 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.732 HG13 ' HG3' ' P' ' 31' ' ' LYS . 16.5 t -26.38 -74.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 123.475 0.485 . . . . 15.0 112.039 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.469 ' N ' HG12 ' P' ' 42' ' ' VAL . 54.5 m -44.02 -31.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.526 ' HB3' ' CE1' ' P' ' 8' ' ' PHE . 25.8 mt-30 -67.44 -37.73 83.44 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.242 -0.583 . . . . 15.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.832 HG22 HD11 ' P' ' 40' ' ' ILE . 67.2 t -56.3 -54.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.56 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.97 -27.52 53.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.238 0.542 . . . . 15.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.51 -51.95 15.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.275 -0.875 . . . . 15.0 109.293 178.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.602 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 66.4 t90 -57.26 -56.41 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.224 -0.898 . . . . 15.0 111.224 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.67 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -48.0 -55.9 8.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.77 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.538 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -47.15 -38.7 11.81 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.814 -0.708 . . . . 15.0 113.221 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -71.98 -32.14 66.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.957 0.354 . . . . 15.0 111.957 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.602 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 13.4 mmmm -59.75 -45.68 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.769 0.285 . . . . 15.0 111.769 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.671 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 2.1 ptm85 -60.63 -44.93 95.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.252 0.549 . . . . 15.0 109.723 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.906 HG22 ' HE3' ' P' ' 58' ' ' LYS . 12.1 mm -55.68 -62.0 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.373 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 44.5 ttp180 -49.72 -31.97 12.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.795 0.331 . . . . 15.0 110.544 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.744 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -57.11 -60.09 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.15 0.5 . . . . 15.0 110.46 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.652 ' HA ' ' HE2' ' P' ' 57' ' ' LYS . 10.8 mmpt? -46.27 -17.41 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.426 0.899 . . . . 15.0 113.426 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.906 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -81.09 -38.59 27.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.645 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' P' ' 62' ' ' LYS . 3.4 m120 -135.53 41.62 2.74 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.795 0.665 . . . . 15.0 112.795 -178.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.503 HD11 ' HA ' ' P' ' 57' ' ' LYS . 40.7 mm -13.86 -72.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 114.905 1.446 . . . . 15.0 114.905 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.58 -23.19 13.19 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-N 116.069 -0.514 . . . . 15.0 114.1 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.3 tttm -74.21 -38.79 63.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.261 0.553 . . . . 15.0 109.988 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.744 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.5 m-85 -80.23 -29.09 38.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.401 -0.818 . . . . 15.0 111.581 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 84.3 mt-30 -56.97 -65.83 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.425 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -51.57 -42.56 61.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.756 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.0 mt-10 -59.31 -51.23 70.82 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.044 -0.724 . . . . 15.0 109.044 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.72 -41.39 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.878 -1.055 . . . . 15.0 110.399 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.996 0.427 . . . . 15.0 110.336 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.425 HG13 ' O ' ' P' ' 65' ' ' GLU . 91.1 mt -62.27 -60.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.624 . . . . 15.0 110.828 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . 0.455 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 56.3 m-85 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.451 -0.795 . . . . 15.0 111.59 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--O 1.232 0.177 0 N-CA-C 108.898 -0.779 . . . . 15.0 108.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.484 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 8.2 t30 -67.61 -83.62 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.953 -1.021 . . . . 15.0 111.957 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.794 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.2 OUTLIER -69.26 114.41 7.49 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 122.084 -0.385 . . . . 15.0 110.422 -179.4 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -73.11 176.9 5.41 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -54.96 -20.98 10.27 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.695 0.258 . . . . 15.0 111.695 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.8 tp-100 -78.28 -48.31 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 15.0 110.59 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.596 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.07 -42.37 99.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.289 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 81.5 p -56.53 -55.29 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.865 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.6 pt-20 -56.47 -43.13 79.28 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.356 0.598 . . . . 15.0 110.644 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.406 HG23 ' HE3' ' P' ' 37' ' ' LYS . 53.5 mt -60.95 -59.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 15.0 111.808 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 57.7 mt -58.66 -46.76 86.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.358 -0.383 . . . . 15.0 110.592 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.54 ' HB3' ' HE2' ' P' ' 21' ' ' TYR . 50.9 m-20 -50.62 -63.24 1.19 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.668 0.27 . . . . 15.0 111.569 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -41.1 -50.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.18 -0.463 . . . . 15.0 111.498 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.661 ' CD2' HD11 ' P' ' 34' ' ' LEU . 2.0 t80 -65.19 -43.44 91.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 15.0 111.037 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.824 ' CE1' HD21 ' P' ' 23' A LEU . 0.7 OUTLIER -53.5 -52.72 58.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 15.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.54 ' HE2' ' HB3' ' P' ' 17' ' ' ASN . 59.2 m-85 -59.35 6.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.618 0.599 . . . . 15.0 112.618 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.512 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.9 m -109.22 -22.56 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 15.0 110.513 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.497 ' O ' ' C ' ' P' ' 23' C ASN . 54.7 m170 -124.63 35.65 4.76 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.68 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.824 HD21 ' CE1' ' P' ' 20' ' ' PHE . 8.7 mt -45.81 -55.78 6.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.807 0.337 . . . . 15.0 111.121 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -56.64 -15.52 4.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 120.888 -0.325 . . . . 15.0 111.121 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.685 ' HB2' ' CE1' ' P' ' 25' ' ' TYR . 15.8 p30 -156.04 70.2 5.11 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 108.388 -0.968 . . . . 15.0 108.388 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' P' ' 23' A LEU . 9.7 Cg_exo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.868 3.045 . . . . 15.0 115.509 -176.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.685 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.0 OUTLIER -126.66 119.66 22.9 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 109.787 -0.449 . . . . 15.0 109.787 177.147 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.756 ' HG3' HG12 ' P' ' 45' ' ' VAL . 7.6 Cg_endo -48.8 -154.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.286 2.657 . . . . 15.0 113.169 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.974 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 47.1 t -155.32 172.2 18.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.448 -1.686 . . . . 15.0 106.448 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -49.09 -53.46 20.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 118.483 0.583 . . . . 15.0 110.959 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.8 -33.64 74.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.75 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.974 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.6 -55.81 20.82 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.691 -0.232 . . . . 15.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.626 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.73 -24.67 64.2 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 119.998 -0.681 . . . . 15.0 110.257 178.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.7 mt-10 -75.76 -60.74 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.99 178.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -58.87 -48.54 81.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 15.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.661 HD11 ' CD2' ' P' ' 19' ' ' TYR . 95.9 mt -56.15 -59.82 4.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.966 0.412 . . . . 15.0 110.693 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.421 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.61 -30.08 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.913 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.2 OUTLIER -76.32 -46.73 26.35 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.962 0.887 . . . . 15.0 109.628 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' P' ' 15' ' ' ILE . 23.7 mtpp -67.71 -45.4 75.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.918 -1.492 . . . . 15.0 111.881 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.596 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 58.1 m -74.15 -50.2 20.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.812 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.42 17.46 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.226 -0.749 . . . . 15.0 111.226 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.794 HG21 ' CD2' ' P' ' 8' ' ' PHE . 12.9 pt -107.28 -163.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.174 -0.513 . . . . 15.0 109.637 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.506 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.7 t -121.43 145.3 48.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.469 -0.937 . . . . 15.0 108.469 177.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.626 HG13 ' HG3' ' P' ' 31' ' ' LYS . 6.9 t -27.08 -75.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 123.295 0.372 . . . . 15.0 111.518 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.538 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.0 m -42.31 -31.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.398 0.888 . . . . 15.0 113.398 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.506 ' OE1' HG22 ' P' ' 41' ' ' THR . 85.5 mt-30 -66.71 -33.61 76.02 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.482 -0.487 . . . . 15.0 110.47 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.756 HG12 ' HG3' ' P' ' 26' ' ' PRO . 57.8 t -63.89 -59.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.238 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 55.2 m -51.88 -29.44 19.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.406 0.622 . . . . 15.0 109.816 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.73 -51.64 15.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.025 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.624 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 74.6 t90 -57.71 -59.97 4.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.81 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.609 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 7.6 m-85 -47.91 -57.12 6.11 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.491 ' HA2' ' NH1' ' P' ' 53' ' ' ARG . . . -33.04 -67.99 0.18 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 116.01 -0.541 . . . . 15.0 113.992 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -59.22 -40.14 84.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.434 0.531 . . . . 15.0 112.434 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.624 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 4.7 mmmp? -44.95 -55.07 5.82 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.442 0.534 . . . . 15.0 112.442 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.724 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 19.0 ptt-85 -58.08 -45.54 86.99 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.983 HG22 ' HE3' ' P' ' 58' ' ' LYS . 14.3 mm -54.77 -51.24 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.461 -0.94 . . . . 15.0 108.461 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 2.5 tpm_? -51.03 -39.91 56.99 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.418 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.724 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 3.7 t80 -50.78 -59.61 3.92 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.863 -0.608 . . . . 15.0 111.098 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 53.5 mttt -50.77 -19.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.987 1.106 . . . . 15.0 113.987 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.983 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -71.92 -38.03 69.95 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.421 -0.585 . . . . 15.0 109.421 179.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' P' ' 58' ' ' LYS . 2.7 m120 -139.94 45.05 1.9 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.877 0.695 . . . . 15.0 112.877 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 51.0 mm -13.88 -69.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 115.129 1.529 . . . . 15.0 115.129 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.8 -25.43 56.01 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 116.118 -0.492 . . . . 15.0 114.252 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' P' ' 59' ' ' ASN . 87.2 tttt -66.01 -41.3 91.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.096 0.474 . . . . 15.0 110.226 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.696 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 27.7 m-85 -79.02 -27.62 43.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 15.0 111.887 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -52.25 -62.14 1.82 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.495 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.0 tt0 -53.25 -47.62 68.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.546 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' P' ' 69' ' ' ILE . 52.0 mm-40 -54.4 -54.86 34.95 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.047 -0.979 . . . . 15.0 110.517 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -74.43 -34.63 63.27 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.402 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.495 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.8 mt -64.82 -52.43 54.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.781 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 C--N 1.332 -0.179 0 CA-C-O 121.071 0.462 . . . . 15.0 110.624 179.677 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.605 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 65.1 t30 -55.78 -101.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.818 -1.083 . . . . 15.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.742 ' CD2' HG21 ' P' ' 40' ' ' ILE . 28.9 m-85 -65.86 110.81 3.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.027 0.831 . . . . 15.0 109.993 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . 0.415 ' HA ' HD22 ' P' ' 9' ' ' ASN . 0.8 OUTLIER -67.82 172.6 5.19 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.77 -0.455 . . . . 15.0 109.77 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' P' ' 11' ' ' GLN . 0.1 OUTLIER -58.1 -15.15 8.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 111.79 0.293 . . . . 15.0 111.79 -179.357 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -79.39 -46.66 17.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.238 0.542 . . . . 15.0 109.883 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.6 -42.35 98.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.675 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.9 p -56.53 -55.13 37.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 15.0 111.581 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.5 pt-20 -55.97 -41.26 74.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.256 0.55 . . . . 15.0 110.717 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' P' ' 38' ' ' SER . 59.4 mt -64.77 -58.31 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.053 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.64 HD22 ' HE1' ' P' ' 49' ' ' PHE . 58.5 mt -60.68 -45.81 92.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.115 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' P' ' 13' ' ' THR . 72.5 m-20 -51.33 -59.92 3.7 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 15.0 110.855 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' P' ' 14' ' ' GLU . 96.9 mt-10 -44.53 -45.5 9.36 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.555 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.56 ' HD2' HD11 ' P' ' 34' ' ' LEU . 10.0 t80 -75.91 -36.22 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.742 0.306 . . . . 15.0 110.611 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.603 ' CZ ' ' CD2' ' P' ' 23' A LEU . 22.5 t80 -53.3 -50.49 64.79 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.912 0.386 . . . . 15.0 110.768 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.5 m-85 -59.9 11.39 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.604 0.594 . . . . 15.0 112.604 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.553 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.4 t -116.28 -19.32 10.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 15.0 110.282 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.444 ' HB3' ' OD1' ' P' ' 23' C ASN . 50.6 m170 -125.94 33.18 5.11 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.18 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.642 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.0 mt -43.75 -64.79 0.59 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 53.3 m -58.22 -3.1 0.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.398 0.518 . . . . 15.0 112.398 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.65 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 6.1 p30 -153.97 72.42 6.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.654 ' HG3' ' HD2' ' P' ' 53' ' ' ARG . 58.9 Cg_endo -69.47 70.52 1.42 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.847 2.365 . . . . 15.0 113.541 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.65 ' CZ ' ' HB2' ' P' ' 23' C ASN . 11.0 p90 -153.56 120.44 2.93 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.761 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.611 ' HG3' HG12 ' P' ' 45' ' ' VAL . 17.8 Cg_endo -54.81 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 123.213 2.609 . . . . 15.0 112.291 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 1.042 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 46.1 t -149.15 169.23 21.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 105.596 -2.002 . . . . 15.0 105.596 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 95.1 mt-10 -49.31 -53.89 19.76 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.238 0.926 . . . . 15.0 110.561 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.44 -34.58 76.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.504 -0.316 . . . . 15.0 110.519 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 1.042 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -62.24 -57.07 12.81 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 121.237 -0.185 . . . . 15.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.689 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.34 -24.38 59.61 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 120.215 -0.594 . . . . 15.0 110.361 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 49.3 mt-10 -75.94 -60.04 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 15.0 109.952 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.472 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.72 -50.19 74.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.506 -0.315 . . . . 15.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.565 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -53.75 -62.49 1.62 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.978 0.418 . . . . 15.0 110.687 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.442 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.16 -29.83 33.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.554 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.513 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.12 -43.15 44.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.992 0.901 . . . . 15.0 109.083 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.99 -48.53 62.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.76 -1.564 . . . . 15.0 111.723 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.574 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 2.0 p -74.33 -51.14 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.683 -0.69 . . . . 15.0 112.498 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.48 19.3 6.24 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.233 -0.747 . . . . 15.0 111.233 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.742 HG21 ' CD2' ' P' ' 8' ' ' PHE . 7.7 pt -104.08 -166.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.177 0.591 . . . . 15.0 109.417 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.507 ' O ' ' C ' ' P' ' 42' ' ' VAL . 8.7 t -117.34 137.87 52.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.689 HG13 ' HG3' ' P' ' 31' ' ' LYS . 3.9 t -25.16 -76.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.983 0.421 . . . . 15.0 111.48 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.585 ' N ' HG12 ' P' ' 42' ' ' VAL . 53.5 m -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.953 0.723 . . . . 15.0 112.953 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.616 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 25.2 tp60 -65.94 -38.3 88.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.734 HG22 HD11 ' P' ' 40' ' ' ILE . 62.9 t -59.24 -58.52 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . 0.429 ' HA ' ' HD2' ' P' ' 26' ' ' PRO . 47.5 t -51.1 -28.98 11.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.378 0.609 . . . . 15.0 110.306 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -74.04 -49.45 24.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.114 -0.948 . . . . 15.0 108.638 177.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.657 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 52.8 t90 -58.1 -59.68 4.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.869 -1.059 . . . . 15.0 111.71 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.64 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.3 m-85 -47.92 -59.13 3.57 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.343 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.8 -48.22 24.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.24 -0.981 . . . . 15.0 111.961 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . 0.543 ' HA ' HG12 ' P' ' 54' ' ' ILE . 25.8 t-20 -66.19 -30.04 70.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 15.0 110.654 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 50.7 tptt -60.53 -35.6 76.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.654 ' HD2' ' HG3' ' P' ' 24' ' ' PRO . 9.8 ptm180 -72.86 -34.57 66.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.93 HG22 ' HE3' ' P' ' 58' ' ' LYS . 9.6 mm -55.25 -55.56 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.828 -1.175 . . . . 15.0 107.828 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.429 ' O ' ' CZ ' ' P' ' 63' ' ' PHE . 37.7 ttm180 -49.35 -43.62 43.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.272 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.633 ' HA ' ' CD1' ' P' ' 63' ' ' PHE . 1.7 t80 -54.89 -59.78 4.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.588 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' P' ' 53' ' ' ARG . 0.0 OUTLIER -44.96 -17.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.014 1.116 . . . . 15.0 114.014 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.93 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -79.76 -36.3 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.624 0.249 . . . . 15.0 111.616 -178.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' P' ' 60' ' ' ILE . 50.9 m-20 -143.15 45.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 15.0 113.548 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.563 HD12 ' CZ ' ' P' ' 56' ' ' TYR . 35.9 mm -13.9 -71.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.966 1.469 . . . . 15.0 114.966 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.43 -22.83 16.98 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.149 -0.478 . . . . 15.0 114.138 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' P' ' 66' ' ' GLU . 61.5 tttm -75.77 -37.34 59.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.305 0.574 . . . . 15.0 109.845 179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.633 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 84.4 m-85 -80.41 -28.61 37.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.352 -0.84 . . . . 15.0 111.497 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.481 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 84.4 mt-30 -57.08 -63.66 1.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.48 -0.563 . . . . 15.0 109.48 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.4 ' O ' HG13 ' P' ' 69' ' ' ILE . 89.1 tt0 -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.569 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 50.1 mt-10 -60.5 -49.87 75.82 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.73 -40.98 4.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.85 -1.068 . . . . 15.0 110.554 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.39 -36.91 63.54 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.059 0.457 . . . . 15.0 110.368 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.4 HG13 ' O ' ' P' ' 65' ' ' GLU . 85.3 mt -61.76 -62.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.168 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . 0.486 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.2 m-85 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.483 -0.78 . . . . 15.0 111.809 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 109.022 -0.733 . . . . 15.0 109.022 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.634 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 33.1 t30 -59.11 -97.03 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.805 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.856 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.3 m-85 -64.48 109.33 1.92 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.601 0.637 . . . . 15.0 111.008 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.02 174.56 4.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.703 -0.48 . . . . 15.0 109.703 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' P' ' 10' ' ' LYS . 8.1 mtpm? -55.7 -19.92 12.58 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.911 0.337 . . . . 15.0 111.911 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.643 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 68.4 tp60 -76.34 -47.37 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 15.0 110.446 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.637 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.26 -45.09 93.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.563 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 69.1 p -56.79 -54.49 45.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.479 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.6 pt-20 -53.31 -38.9 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.285 0.564 . . . . 15.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.502 HD11 HE21 ' P' ' 11' ' ' GLN . 58.9 mt -72.5 -54.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.226 -0.897 . . . . 15.0 112.954 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.638 HD22 ' HE1' ' P' ' 49' ' ' PHE . 81.4 mt -60.15 -44.95 94.56 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.68 0.622 . . . . 15.0 112.68 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.575 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 17.7 p30 -60.55 -50.99 71.33 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.285 -0.566 . . . . 15.0 110.671 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.575 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 62.8 mm-40 -43.7 -39.04 3.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.475 . . . . 15.0 110.864 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.715 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -83.22 -34.96 25.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.724 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.693 ' CZ ' ' CD2' ' P' ' 23' A LEU . 18.9 t80 -53.24 -53.49 49.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.98 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 63.7 m-85 -57.97 10.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.503 ' H ' ' C ' ' P' ' 20' ' ' PHE . 85.4 p -115.02 -18.38 11.24 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.22 -0.3 . . . . 15.0 110.779 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' P' ' 24' ' ' PRO . 62.8 m170 -129.5 31.72 4.75 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.095 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.693 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 13.9 mt -40.7 -62.28 0.82 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.087 0.403 . . . . 15.0 112.087 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.6 t -58.72 -9.96 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.493 0.553 . . . . 15.0 112.493 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.442 ' HB2' ' CE2' ' P' ' 25' ' ' TYR . 15.9 p-10 -173.03 70.52 0.39 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.688 0.28 . . . . 15.0 110.58 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' P' ' 23' A LEU . 61.8 Cg_endo -72.32 90.53 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.67 2.246 . . . . 15.0 111.899 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' P' ' 23' C ASN . 4.4 m-30 -123.37 89.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.838 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 81.1 Cg_endo -66.31 91.11 0.27 Allowed 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.594 2.196 . . . . 15.0 111.172 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.48 ' O ' ' O ' ' P' ' 26' ' ' PRO . 47.0 t -37.73 167.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.907 0.754 . . . . 15.0 111.499 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -44.73 -46.26 10.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.542 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.63 -32.56 68.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.557 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.769 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -65.53 -56.95 9.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.487 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.993 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.98 -23.39 65.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.025 0.44 . . . . 15.0 110.065 178.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.521 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 83.9 mt-10 -75.7 -59.8 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.693 . . . . 15.0 109.139 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.8 pt-20 -58.66 -47.97 82.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.786 HD12 HG11 ' P' ' 45' ' ' VAL . 91.6 mt -53.46 -60.45 3.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.999 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.91 -30.78 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 15.0 112.207 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.76 -46.68 29.48 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.963 0.887 . . . . 15.0 109.266 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.442 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.6 mtpp -67.66 -46.07 73.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.452 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.637 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 64.4 m -73.92 -53.17 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.24 -0.891 . . . . 15.0 112.297 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.35 17.9 6.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.896 -0.669 . . . . 15.0 111.525 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.856 HG21 ' CD2' ' P' ' 8' ' ' PHE . 8.1 pt -104.88 -165.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.3 t -116.67 137.21 52.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.522 -0.918 . . . . 15.0 108.522 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.993 HG13 ' HG3' ' P' ' 31' ' ' LYS . 21.8 t -21.86 -78.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 120.968 0.413 . . . . 15.0 111.877 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.535 ' N ' HG12 ' P' ' 42' ' ' VAL . 41.8 m -42.74 -28.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.493 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' P' ' 41' ' ' THR . 53.9 tp60 -66.37 -38.22 87.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.171 0.51 . . . . 15.0 109.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.833 HG22 HD11 ' P' ' 40' ' ' ILE . 78.2 t -60.48 -57.02 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.634 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -53.71 -25.28 17.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.267 0.556 . . . . 15.0 110.341 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.94 -50.2 21.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.249 -0.887 . . . . 15.0 108.977 178.129 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.519 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 51.0 t90 -57.87 -60.3 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 15.0 111.507 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.638 ' HE1' HD22 ' P' ' 16' ' ' LEU . 8.3 m-85 -48.18 -59.06 3.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.462 -0.79 . . . . 15.0 112.143 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.654 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.3 -48.34 6.81 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.714 -0.755 . . . . 15.0 112.682 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . 0.48 ' HA ' HG12 ' P' ' 54' ' ' ILE . 22.6 t-20 -75.47 -28.17 59.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.587 0.232 . . . . 15.0 111.53 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 21.2 tptm -60.24 -39.86 88.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.866 0.321 . . . . 15.0 111.866 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.9 ptm180 -71.17 -36.18 71.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.571 -0.9 . . . . 15.0 108.571 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.981 HG22 ' HE3' ' P' ' 58' ' ' LYS . 27.5 mm -53.89 -55.0 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.519 -0.764 . . . . 15.0 109.35 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 71.1 mtp180 -49.58 -42.06 43.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.708 0.289 . . . . 15.0 110.983 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.764 ' HA ' ' CD1' ' P' ' 63' ' ' PHE . 3.3 t80 -47.68 -59.97 2.9 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.165 0.507 . . . . 15.0 110.981 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.548 ' HA ' HD11 ' P' ' 60' ' ' ILE . 0.0 OUTLIER -46.29 -19.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.427 0.899 . . . . 15.0 113.427 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.981 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.6 OUTLIER -83.79 -39.09 20.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' P' ' 60' ' ' ILE . 60.0 m-20 -133.86 40.01 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.625 0.602 . . . . 15.0 112.625 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' P' ' 57' ' ' LYS . 36.7 mm -13.69 -71.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 114.547 1.314 . . . . 15.0 114.547 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.11 -25.82 40.36 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.025 -0.534 . . . . 15.0 114.138 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -70.46 -39.33 74.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.183 0.516 . . . . 15.0 110.106 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.764 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 96.1 m-85 -76.14 -30.81 58.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.762 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.494 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 82.9 mt-30 -55.2 -62.09 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.874 -0.417 . . . . 15.0 109.874 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -51.24 -46.61 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.46 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' P' ' 69' ' ' ILE . 96.8 mt-10 -56.47 -51.76 67.24 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 108.796 -0.816 . . . . 15.0 108.796 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.81 -44.8 7.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.331 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -69.83 -34.51 73.76 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.168 -0.469 . . . . 15.0 109.977 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' P' ' 66' ' ' GLU . 78.6 mt -66.63 -54.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.877 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . 0.421 ' CD2' ' OD1' ' P' ' 17' ' ' ASN . 77.3 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.678 -0.692 . . . . 15.0 111.785 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 ptm85 . . . . . 0 CA--C 1.522 -0.13 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.447 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 6.3 t30 -60.1 -89.66 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.692 -1.14 . . . . 15.0 111.554 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.786 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.3 OUTLIER -61.2 102.67 0.23 Allowed 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.346 0.593 . . . . 15.0 111.053 -179.156 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -65.02 173.32 2.43 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.133 -0.939 . . . . 15.0 110.127 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -55.01 -16.98 3.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.647 0.26 . . . . 15.0 111.545 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.4 tp-100 -79.21 -46.95 16.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.007 0.432 . . . . 15.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.582 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.09 -43.52 98.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.855 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 68.8 p -56.98 -56.1 26.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.074 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 14.2 pt-20 -52.7 -38.05 60.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.315 0.579 . . . . 15.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.516 HG23 ' HE2' ' P' ' 37' ' ' LYS . 65.0 mt -71.27 -56.06 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.271 -0.877 . . . . 15.0 113.239 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.624 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.3 mt -60.45 -43.75 96.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.158 0.799 . . . . 15.0 113.158 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.478 HD21 ' HA ' ' P' ' 14' ' ' GLU . 19.6 p30 -60.46 -52.83 63.52 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.265 -0.574 . . . . 15.0 111.028 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.476 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 50.1 mt-10 -45.97 -37.53 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 15.0 111.362 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.758 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.8 t80 -81.91 -40.37 22.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.929 0.395 . . . . 15.0 110.636 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.763 ' CE1' HD21 ' P' ' 23' A LEU . 0.3 OUTLIER -49.16 -48.23 45.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.504 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 68.5 m-85 -61.39 4.98 0.08 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.442 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.5 t -108.37 -25.97 10.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.556 0.217 . . . . 15.0 111.059 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.435 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 53.8 m170 -124.67 38.98 4.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.521 -0.309 . . . . 15.0 111.461 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.763 HD21 ' CE1' ' P' ' 20' ' ' PHE . 6.7 mt -46.45 -62.0 1.56 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.828 0.347 . . . . 15.0 111.121 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 23' B SER . . . . . 0.517 ' O ' ' ND2' ' P' ' 23' C ASN . 80.3 p -59.91 -8.79 2.42 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.912 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.517 ' ND2' ' O ' ' P' ' 23' B SER . 8.0 m120 -141.41 69.06 26.58 Favored Pre-proline 0 N--CA 1.462 0.151 0 CA-C-O 121.026 0.441 . . . . 15.0 110.092 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' P' ' 23' A LEU . 48.8 Cg_endo -66.91 61.53 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.03 2.487 . . . . 15.0 113.222 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' P' ' 23' C ASN . 4.5 p90 -154.01 97.02 2.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 121.087 0.47 . . . . 15.0 110.197 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.755 ' HG3' HG12 ' P' ' 45' ' ' VAL . 87.7 Cg_endo -69.56 113.01 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.531 2.821 . . . . 15.0 112.934 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.408 ' O ' ' O ' ' P' ' 26' ' ' PRO . 51.1 m -36.19 159.75 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.258 -0.883 . . . . 15.0 111.256 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.468 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 94.6 mt-10 -46.26 -42.93 15.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.752 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.59 -24.07 56.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.849 0.357 . . . . 15.0 110.855 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.758 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -69.71 -54.28 14.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.982 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.981 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -62.3 -21.36 65.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.325 178.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 41.1 mt-10 -75.48 -59.78 2.6 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.56 -45.36 89.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.758 HD12 HG11 ' P' ' 45' ' ' VAL . 96.2 mt -56.64 -60.7 3.17 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.31 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.77 59.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.988 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.42 -46.77 30.74 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.991 0.901 . . . . 15.0 108.714 179.217 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.516 ' HE2' HG23 ' P' ' 15' ' ' ILE . 52.2 mtpt -65.63 -48.97 70.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.905 -1.498 . . . . 15.0 110.701 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.582 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 39.3 m -74.46 -52.04 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.975 -1.012 . . . . 15.0 111.66 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.6 23.89 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.866 -0.683 . . . . 15.0 111.872 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.875 HD11 HG22 ' P' ' 45' ' ' VAL . 3.8 pt -101.75 -168.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 122.293 0.237 . . . . 15.0 110.826 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.498 HG23 ' HB2' ' P' ' 44' ' ' GLN . 4.9 t -109.87 90.1 3.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.633 0.254 . . . . 15.0 110.634 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.981 HG13 ' HG3' ' P' ' 31' ' ' LYS . 14.4 t 17.43 -83.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 124.205 0.94 . . . . 15.0 112.142 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.646 ' N ' HG12 ' P' ' 42' ' ' VAL . 38.0 m -44.62 -24.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.524 ' HG3' ' CE2' ' P' ' 8' ' ' PHE . 48.1 tp60 -67.01 -37.52 84.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.945 -0.761 . . . . 15.0 108.945 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.875 HG22 HD11 ' P' ' 40' ' ' ILE . 89.3 t -56.33 -54.72 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.18 -0.918 . . . . 15.0 109.699 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -56.04 -27.98 55.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.345 0.593 . . . . 15.0 110.27 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.58 -52.04 14.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.167 -0.924 . . . . 15.0 109.616 178.776 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.554 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 82.0 t90 -56.89 -54.41 46.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.359 -0.837 . . . . 15.0 110.649 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.624 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -48.36 -54.19 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.393 -0.821 . . . . 15.0 110.87 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.649 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.56 -32.58 5.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.851 -0.69 . . . . 15.0 112.95 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' P' ' 54' ' ' ILE . 1.1 t-20 -73.72 -54.18 8.67 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.771 0.32 . . . . 15.0 111.845 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.54 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 29.6 mmmt -38.81 -45.45 1.15 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.597 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.575 ' C ' ' H ' ' P' ' 55' ' ' ARG . 2.4 ptm85 -64.53 -47.36 79.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.649 HG12 ' O ' ' P' ' 50' ' ' GLY . 19.1 mm -60.42 6.03 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.128 0.49 . . . . 15.0 111.133 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.575 ' H ' ' C ' ' P' ' 53' ' ' ARG . 19.0 tpp180 -123.4 -24.61 4.58 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.766 -0.827 . . . . 15.0 108.766 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.66 ' CE2' HD12 ' P' ' 60' ' ' ILE . 47.8 t80 -61.53 -68.57 0.3 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.323 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.879 ' HA ' HD11 ' P' ' 60' ' ' ILE . 20.4 mtmt -49.36 -22.12 1.04 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.353 -0.84 . . . . 15.0 112.623 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.615 ' N ' ' HD2' ' P' ' 58' ' ' LYS . 0.7 OUTLIER -71.73 -37.67 70.55 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.449 -0.796 . . . . 15.0 108.912 178.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.2 m-20 -139.32 31.92 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.433 0.901 . . . . 15.0 113.433 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.879 HD11 ' HA ' ' P' ' 57' ' ' LYS . 42.2 mm -14.2 -67.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 114.842 1.423 . . . . 15.0 114.842 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.81 -28.62 31.72 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.355 -0.45 . . . . 15.0 113.399 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' P' ' 59' ' ' ASN . 2.6 tmmm? -67.8 -40.71 83.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.601 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 42.5 m-85 -77.49 -28.78 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.583 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -50.98 -65.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.406 ' O ' HG13 ' P' ' 69' ' ' ILE . 38.8 tt0 -52.64 -45.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.853 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' P' ' 69' ' ' ILE . 97.6 mt-10 -57.39 -52.43 65.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.345 0.593 . . . . 15.0 109.465 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.16 -39.41 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -72.89 -35.84 67.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.43 . . . . 15.0 110.27 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' P' ' 66' ' ' GLU . 69.3 mt -66.17 -54.3 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.165 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.836 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 N--CA 1.466 0.366 0 N-CA-C 109.055 -0.72 . . . . 15.0 109.055 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 26.8 t30 -56.99 -94.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.593 -1.185 . . . . 15.0 112.784 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.92 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.1 m-85 -66.21 116.3 7.13 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.359 0.527 . . . . 15.0 110.773 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . 0.421 ' HA ' HD22 ' P' ' 9' ' ' ASN . 0.7 OUTLIER -74.28 178.07 5.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.218 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.1 OUTLIER -55.56 -25.19 36.66 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.842 0.312 . . . . 15.0 111.842 -179.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.5 tt0 -74.91 -49.04 21.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.438 . . . . 15.0 110.576 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.591 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.79 -41.76 98.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 15.0 111.47 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 71.6 p -57.66 -54.92 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.964 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.2 pt-20 -56.5 -44.08 80.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.333 0.587 . . . . 15.0 110.545 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.447 HD13 ' C ' ' P' ' 37' ' ' LYS . 56.1 mt -59.18 -61.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.16 -0.927 . . . . 15.0 111.785 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.573 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 52.4 mt -57.41 -45.48 84.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 15.0 110.723 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' P' ' 21' ' ' TYR . 52.5 m-20 -53.51 -60.96 2.64 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.597 0.237 . . . . 15.0 111.561 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.432 ' HG2' ' HB3' ' P' ' 70' ' ' TYR . 55.3 mt-10 -43.41 -38.88 2.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.31 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.571 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.8 t80 -79.62 -39.03 32.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 15.0 110.41 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.55 ' CZ ' HD22 ' P' ' 23' A LEU . 28.4 t80 -53.29 -54.51 35.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.651 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.491 ' CE2' ' HB3' ' P' ' 17' ' ' ASN . 58.5 m-85 -56.84 6.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.81 0.671 . . . . 15.0 112.81 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.523 ' H ' ' C ' ' P' ' 20' ' ' PHE . 46.0 t -108.71 -20.79 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.385 -0.197 . . . . 15.0 110.89 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' P' ' 23' C ASN . 64.4 m170 -129.9 35.75 4.12 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.623 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.597 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -43.65 -61.72 1.31 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 80.0 p -58.12 -8.44 1.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.59 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 13.9 p30 -159.6 66.88 2.87 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.668 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 5.7 Cg_exo -78.32 59.93 7.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.114 2.542 . . . . 15.0 114.225 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.636 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.4 p90 -125.46 108.01 26.66 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.73 ' HG3' HG12 ' P' ' 45' ' ' VAL . 1.3 Cg_endo -44.42 -151.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.337 2.692 . . . . 15.0 112.954 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.97 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 57.8 m -156.0 170.44 22.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.356 -1.72 . . . . 15.0 106.356 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -49.07 -52.5 25.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.463 0.574 . . . . 15.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -69.59 -33.99 73.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.797 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.97 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -62.52 -55.67 25.24 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.995 -0.282 . . . . 15.0 110.645 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.638 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.96 -23.95 62.09 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.274 178.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.505 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.6 mt-10 -75.72 -60.08 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.896 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' P' ' 34' ' ' LEU . 16.8 pt-20 -58.58 -48.96 79.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 15.0 110.221 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.724 HD12 HG11 ' P' ' 45' ' ' VAL . 97.5 mt -56.09 -59.75 4.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.91 0.386 . . . . 15.0 110.573 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.55 -30.08 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.405 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.26 -46.53 27.61 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 122.003 0.906 . . . . 15.0 109.374 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.447 ' C ' HD13 ' P' ' 15' ' ' ILE . 24.6 mtpp -66.87 -45.53 77.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.849 -1.523 . . . . 15.0 111.791 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.591 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 57.2 m -74.26 -49.48 23.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 15.0 112.046 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 17.7 8.32 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.893 -0.883 . . . . 15.0 110.893 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.92 HG21 ' CD2' ' P' ' 8' ' ' PHE . 19.8 pt -105.68 -163.82 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.537 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.8 t -121.17 144.23 48.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' P' ' 31' ' ' LYS . 10.6 t -26.0 -75.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 123.254 0.347 . . . . 15.0 111.554 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.516 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.7 m -42.33 -30.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.234 0.827 . . . . 15.0 113.234 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.537 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.3 mm100 -66.77 -33.79 76.41 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.09 0.471 . . . . 15.0 110.178 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.789 HG22 HD11 ' P' ' 40' ' ' ILE . 55.1 t -64.82 -60.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.614 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -51.93 -27.59 13.57 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.434 0.635 . . . . 15.0 109.932 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -51.06 17.26 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.255 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.678 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 72.5 t90 -57.66 -60.62 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.564 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.531 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.0 m-85 -47.36 -56.02 7.7 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.769 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -36.04 -61.89 0.75 Allowed Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.14 -0.482 . . . . 15.0 113.89 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -64.89 -23.2 67.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.797 0.665 . . . . 15.0 112.797 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.616 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.7 mmmt -59.93 -49.37 77.94 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.028 0.381 . . . . 15.0 112.028 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.4 ptt-85 -65.02 -42.72 94.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.549 -0.537 . . . . 15.0 109.549 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.746 HG22 ' HE2' ' P' ' 58' ' ' LYS . 15.2 mm -55.4 -58.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.407 -0.961 . . . . 15.0 108.407 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.683 ' HG3' ' HZ ' ' P' ' 63' ' ' PHE . 10.7 tpt180 -53.18 -37.14 61.65 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.792 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.717 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.2 OUTLIER -49.17 -60.42 2.81 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.378 0.609 . . . . 15.0 110.657 178.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 74.3 mmtt -48.86 -20.37 0.49 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.141 -0.936 . . . . 15.0 113.477 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.746 ' HE2' HG22 ' P' ' 54' ' ' ILE . 2.6 mptp? -75.37 -39.13 59.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.241 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.7 m-20 -135.71 42.75 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.069 0.766 . . . . 15.0 113.069 -178.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.542 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 47.7 mm -14.21 -71.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 115.274 1.583 . . . . 15.0 115.274 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.38 -24.4 51.87 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 116.043 -0.526 . . . . 15.0 114.117 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' P' ' 59' ' ' ASN . 63.2 tttp -65.09 -42.07 94.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.01 0.433 . . . . 15.0 110.015 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.717 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 37.6 m-85 -77.27 -24.93 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.935 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 81.8 mt-30 -55.22 -63.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.99 -47.15 65.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.584 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.0 mt-10 -54.93 -53.7 52.24 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.003 -0.74 . . . . 15.0 109.003 178.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.57 -44.38 6.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.011 -0.995 . . . . 15.0 110.368 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.984 0.421 . . . . 15.0 110.517 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' P' ' 66' ' ' GLU . 72.6 mt -65.95 -57.65 9.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.433 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . 0.432 ' HB3' ' HG2' ' P' ' 18' ' ' GLU . 86.2 m-85 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.686 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 24.1 ptt85 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 107.575 -1.268 . . . . 15.0 107.575 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.688 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 31.9 t30 -61.28 -95.66 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 113.9 -1.5 . . . . 15.0 110.779 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.938 ' CD2' HG21 ' P' ' 40' ' ' ILE . 15.0 m-85 -64.81 110.62 2.47 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.743 0.702 . . . . 15.0 109.833 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . 0.469 ' ND2' ' CD ' ' P' ' 10' ' ' LYS . 42.5 t30 -69.21 174.23 4.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.456 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.469 ' CD ' ' ND2' ' P' ' 9' ' ' ASN . 0.0 OUTLIER -57.89 -18.3 21.99 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.999 -0.281 . . . . 15.0 111.538 -178.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -76.29 -47.48 23.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 15.0 109.815 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.601 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.45 -45.4 91.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.589 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.494 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.7 p -53.54 -57.45 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.966 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' P' ' 18' ' ' GLU . 13.3 pt-20 -54.05 -39.34 66.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.385 0.612 . . . . 15.0 110.753 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' P' ' 38' ' ' SER . 83.4 mt -66.59 -55.95 16.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.214 -0.903 . . . . 15.0 112.109 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.586 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.9 mt -62.3 -48.02 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.42 0.526 . . . . 15.0 112.42 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' P' ' 13' ' ' THR . 19.4 p30 -60.73 -52.13 66.4 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.398 -0.521 . . . . 15.0 110.741 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' P' ' 14' ' ' GLU . 43.6 mm-40 -45.32 -34.61 3.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.862 0.363 . . . . 15.0 110.857 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.575 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.8 t80 -82.94 -40.92 19.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.467 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.663 ' CZ ' HD22 ' P' ' 23' A LEU . 3.4 t80 -48.25 -52.22 22.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 15.0 110.482 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.3 m-85 -56.19 2.43 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.501 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.492 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.7 m -107.03 -23.0 12.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.646 0.26 . . . . 15.0 110.323 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -130.2 42.05 3.32 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.945 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.663 HD22 ' CZ ' ' P' ' 20' ' ' PHE . 2.7 mt -45.39 -61.17 1.78 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.56 0.219 . . . . 15.0 111.471 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 23' B SER . . . . . 0.5 ' O ' ' ND2' ' P' ' 23' C ASN . 52.8 m -58.26 -4.09 0.33 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.5 ' ND2' ' O ' ' P' ' 23' B SER . 8.1 m120 -141.59 73.13 24.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' P' ' 23' A LEU . 47.0 Cg_endo -67.53 55.84 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.022 2.481 . . . . 15.0 113.25 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.47 124.35 3.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.118 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.665 ' HG3' HG12 ' P' ' 45' ' ' VAL . 36.3 Cg_endo -60.14 -151.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.756 2.304 . . . . 15.0 111.807 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.956 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 44.5 t -144.06 172.4 12.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.289 -1.745 . . . . 15.0 106.289 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.6 mt-10 -52.52 -54.93 26.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.993 0.815 . . . . 15.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -70.78 -23.84 62.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.956 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -72.55 -53.77 11.05 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.752 0.311 . . . . 15.0 110.467 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.794 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.8 OUTLIER -61.51 -21.98 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.569 -0.452 . . . . 15.0 110.4 179.066 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.518 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 48.5 mt-10 -75.87 -59.51 2.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.74 -47.93 82.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 15.0 109.824 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.783 HD12 HG11 ' P' ' 45' ' ' VAL . 93.4 mt -54.55 -59.02 5.26 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.84 -32.12 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 15.0 112.417 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.77 -46.78 28.92 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.919 0.866 . . . . 15.0 109.325 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.428 ' C ' HD13 ' P' ' 15' ' ' ILE . 24.2 mtpp -66.13 -45.52 80.75 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.864 -1.517 . . . . 15.0 111.519 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.601 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 37.9 m -74.18 -51.06 16.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.369 -0.832 . . . . 15.0 112.148 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.2 20.33 6.34 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.938 HG21 ' CD2' ' P' ' 8' ' ' PHE . 16.8 pt -108.71 -162.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 15.0 109.417 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.509 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.1 t -121.5 145.0 48.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.794 HG13 ' HG3' ' P' ' 31' ' ' LYS . 22.1 t -27.23 -74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.77 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.448 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.4 m -43.2 -31.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.498 0.925 . . . . 15.0 113.498 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.509 ' OE1' HG22 ' P' ' 41' ' ' THR . 86.6 mt-30 -66.68 -35.99 81.45 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.364 -0.535 . . . . 15.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.844 HG22 HD11 ' P' ' 40' ' ' ILE . 54.9 t -61.33 -57.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.98 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -51.82 -54.42 29.06 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.348 0.594 . . . . 15.0 109.518 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -50.81 -50.91 55.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.924 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.6 ' CH2' ' HG2' ' P' ' 52' ' ' LYS . 73.0 t90 -57.35 -55.67 31.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.092 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.729 ' HA ' ' HD2' ' P' ' 52' ' ' LYS . 6.0 m-85 -47.47 -52.38 17.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.655 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.498 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -58.0 -37.2 84.52 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.121 -1.038 . . . . 15.0 112.89 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . 0.475 ' O ' HG12 ' P' ' 54' ' ' ILE . 78.7 m-20 -65.24 -77.96 0.06 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.116 0.784 . . . . 15.0 113.116 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.729 ' HD2' ' HA ' ' P' ' 49' ' ' PHE . 0.0 OUTLIER -41.14 -39.17 1.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.845 0.683 . . . . 15.0 112.845 -177.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.785 ' HD2' HD13 ' P' ' 54' ' ' ILE . 0.0 OUTLIER -53.37 -46.02 69.43 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 178.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 1.025 HG22 ' HE3' ' P' ' 58' ' ' LYS . 11.4 mm -53.19 -52.79 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.244 -0.434 . . . . 15.0 110.107 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' P' ' 52' ' ' LYS . 4.1 ptt-85 -53.81 -24.81 16.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.513 -0.475 . . . . 15.0 111.486 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.773 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -59.19 -60.01 4.54 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.745 ' HA ' HD11 ' P' ' 60' ' ' ILE . 74.5 mmtt -46.43 -15.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.372 0.878 . . . . 15.0 113.372 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 1.025 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.7 OUTLIER -81.63 -36.58 28.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.88 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' P' ' 62' ' ' LYS . 61.0 m-80 -136.5 37.89 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.666 0.617 . . . . 15.0 112.666 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' P' ' 57' ' ' LYS . 51.5 mm -13.71 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 115.046 1.498 . . . . 15.0 115.046 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.35 -25.85 27.84 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 116.188 -0.46 . . . . 15.0 113.623 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -68.03 -40.41 82.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.959 0.409 . . . . 15.0 110.389 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.773 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 39.3 m-85 -82.01 -23.49 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.948 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -56.72 -65.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.467 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.1 tt0 -53.07 -46.44 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.74 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.753 ' OE1' HD12 ' P' ' 69' ' ' ILE . 5.6 mm-40 -55.8 -53.66 54.03 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.25 -39.52 3.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.807 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -74.18 -33.69 63.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.015 0.436 . . . . 15.0 110.196 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.753 HD12 ' OE1' ' P' ' 66' ' ' GLU . 74.9 mt -68.85 -50.22 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.832 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 121.253 0.549 . . . . 15.0 110.648 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 ptt85 . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 112.33 0.493 . . . . 15.0 112.33 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.547 ' ND2' ' CD1' ' P' ' 8' ' ' PHE . 37.1 t30 -55.01 -90.05 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.68 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' P' ' 40' ' ' ILE . 2.6 m-30 -81.72 120.25 24.89 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.699 -0.482 . . . . 15.0 109.699 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . 0.635 ' O ' HG23 ' P' ' 13' ' ' THR . 41.0 t30 -72.95 173.34 9.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.167 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' P' ' 10' ' ' LYS . 12.9 mptt -55.73 -30.2 60.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.782 0.325 . . . . 15.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -65.77 -51.05 62.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.38 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.599 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.599 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.635 HG23 ' O ' ' P' ' 9' ' ' ASN . 44.5 p -57.09 -56.02 27.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.1 pt-20 -55.22 -42.92 73.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.467 0.651 . . . . 15.0 110.547 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.499 HG23 ' HE3' ' P' ' 37' ' ' LYS . 75.6 mt -64.09 -56.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.038 -0.983 . . . . 15.0 111.804 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.739 HD11 HD13 ' P' ' 40' ' ' ILE . 80.1 mt -63.19 -47.31 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 15.0 112.813 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -60.64 -52.93 63.06 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.056 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 45.9 mt-10 -44.01 -44.97 7.66 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.719 0.295 . . . . 15.0 111.308 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.482 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -71.57 -40.25 70.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 15.0 110.393 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.612 ' CE1' HD21 ' P' ' 23' A LEU . 1.3 t80 -51.71 -48.74 63.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.728 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -62.77 8.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.302 0.482 . . . . 15.0 112.302 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.485 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.7 t -105.83 -24.92 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 15.0 110.571 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' P' ' 23' C ASN . 59.8 m170 -127.93 38.67 3.98 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.134 -0.485 . . . . 15.0 111.053 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.743 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -42.46 -62.09 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 46.6 t -58.73 -10.85 2.58 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.933 0.346 . . . . 15.0 111.933 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.55 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 75.2 m-80 -150.74 69.7 8.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.743 ' HD3' ' O ' ' P' ' 23' A LEU . 58.9 Cg_endo -81.16 54.1 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.876 2.384 . . . . 15.0 114.028 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.596 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.0 p90 -129.45 110.6 17.75 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 177.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.836 ' HG3' HG12 ' P' ' 45' ' ' VAL . 3.3 Cg_endo -46.36 -151.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.257 2.638 . . . . 15.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.912 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 53.5 m -154.73 176.93 11.83 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.138 -1.43 . . . . 15.0 107.138 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -53.13 -53.08 55.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.078 -0.649 . . . . 15.0 110.464 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 12.4 pt-20 -73.17 -26.03 61.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.815 0.302 . . . . 15.0 111.815 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.912 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -66.94 -52.07 47.47 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.86 ' CB ' HG13 ' P' ' 42' ' ' VAL . 12.2 mttt -55.17 -30.54 60.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.496 178.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' P' ' 36' ' ' LYS . 54.9 mt-10 -71.67 -59.49 2.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.747 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 23.9 pt-20 -57.73 -50.49 73.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.32 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.777 HD12 HG11 ' P' ' 45' ' ' VAL . 96.6 mt -58.29 -61.29 2.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 15.0 111.44 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' P' ' 40' ' ' ILE . . . -56.29 -30.52 62.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.834 0.679 . . . . 15.0 112.834 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.524 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.2 OUTLIER -75.95 -46.36 30.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.984 0.897 . . . . 15.0 109.307 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.499 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.4 mtpp -66.55 -48.14 70.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 113.804 -1.544 . . . . 15.0 111.328 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.599 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 50.3 m -75.5 -52.95 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.25 -0.887 . . . . 15.0 112.507 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.13 19.01 6.06 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.835 -0.697 . . . . 15.0 111.842 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.754 HD11 HG22 ' P' ' 45' ' ' VAL . 6.0 pt -103.15 -166.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.842 -0.429 . . . . 15.0 109.842 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.555 ' O ' ' N ' ' P' ' 44' ' ' GLN . 7.9 t -116.85 134.4 54.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.618 -0.882 . . . . 15.0 108.618 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.86 HG13 ' CB ' ' P' ' 31' ' ' LYS . 42.9 t -21.41 -77.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.105 0.409 . . . . 15.0 112.105 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 52.0 m -43.72 -28.33 0.4 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.835 0.68 . . . . 15.0 112.835 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' P' ' 41' ' ' THR . 3.4 tp60 -67.0 -37.43 84.18 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.294 0.569 . . . . 15.0 110.015 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.836 HG12 ' HG3' ' P' ' 26' ' ' PRO . 62.1 t -61.22 -57.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.394 -0.821 . . . . 15.0 111.029 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . 0.406 ' HB3' ' HE2' ' P' ' 31' ' ' LYS . 77.5 p -54.52 -28.12 43.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.498 0.666 . . . . 15.0 109.901 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -51.38 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.793 -1.094 . . . . 15.0 108.751 178.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 63.1 t90 -57.59 -59.16 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.805 -1.089 . . . . 15.0 111.258 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.707 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -47.99 -55.52 9.84 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.819 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.441 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -41.2 -50.85 4.42 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.987 -0.625 . . . . 15.0 113.301 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -64.19 -35.37 80.59 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.741 0.275 . . . . 15.0 111.741 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.573 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.0 mmmm -52.28 -47.88 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.284 0.476 . . . . 15.0 112.284 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.668 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 6.1 ptm180 -61.99 -43.16 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.078 -0.712 . . . . 15.0 109.078 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.856 HG22 ' HE2' ' P' ' 58' ' ' LYS . 13.7 mm -55.03 -58.11 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.408 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 56.0 ttt-85 -52.46 -33.33 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.815 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.671 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.8 t80 -55.61 -60.42 3.45 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.207 0.527 . . . . 15.0 110.437 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.528 ' HA ' HD11 ' P' ' 60' ' ' ILE . 75.1 mmtt -47.54 -18.13 0.12 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.763 1.023 . . . . 15.0 113.763 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.856 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.0 mptp? -74.45 -37.83 63.14 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.979 0.418 . . . . 15.0 110.319 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' P' ' 62' ' ' LYS . 44.0 m-20 -140.93 44.25 1.81 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.893 0.701 . . . . 15.0 112.893 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' P' ' 57' ' ' LYS . 47.8 mm -13.88 -69.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 114.977 1.473 . . . . 15.0 114.977 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.05 -26.03 47.94 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 113.786 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.1 tmtm? -68.33 -41.64 80.49 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.671 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 35.7 m-85 -78.17 -27.76 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.892 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.8 mt-30 -53.66 -62.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.302 -0.629 . . . . 15.0 109.302 179.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.47 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -51.82 -46.61 64.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.59 179.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -55.97 -51.92 65.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.739 -0.837 . . . . 15.0 108.739 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.66 -44.27 6.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.647 -1.161 . . . . 15.0 110.612 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -75.58 -31.49 59.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.654 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.47 HG13 ' O ' ' P' ' 65' ' ' GLU . 95.5 mt -66.9 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.966 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.61 -179.069 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 121.655 0.74 . . . . 15.0 109.162 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.578 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 40.3 t30 -60.24 -91.76 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.761 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.755 ' CD2' HG21 ' P' ' 40' ' ' ILE . 1.0 OUTLIER -72.98 112.35 8.93 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.986 -0.446 . . . . 15.0 111.578 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . 0.454 ' ND2' ' H ' ' P' ' 10' ' ' LYS . 0.5 OUTLIER -74.78 -176.82 2.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.206 -0.452 . . . . 15.0 109.889 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.454 ' H ' ' ND2' ' P' ' 9' ' ' ASN . 31.4 mmmt -56.51 -37.3 70.24 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.837 0.351 . . . . 15.0 111.309 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.2 tp-100 -56.25 -50.61 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.219 0.533 . . . . 15.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -64.82 -46.1 83.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.746 -0.661 . . . . 15.0 111.666 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.2 p -56.09 -53.67 54.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.979 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.546 ' HA ' ' ND2' ' P' ' 17' ' ' ASN . 14.8 pt-20 -55.67 -40.47 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 15.0 110.695 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.483 HD12 ' O ' ' P' ' 11' ' ' GLN . 47.7 mt -72.42 -56.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.633 HD22 ' HE1' ' P' ' 49' ' ' PHE . 70.3 mt -57.83 -40.01 79.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.252 0.464 . . . . 15.0 112.252 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.546 ' ND2' ' HA ' ' P' ' 14' ' ' GLU . 3.8 p30 -60.37 -54.57 44.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.753 -0.379 . . . . 15.0 111.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 50.7 mm-40 -42.75 -49.51 5.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 15.0 111.727 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.562 ' CD2' HD11 ' P' ' 34' ' ' LEU . 7.9 t80 -73.54 -34.57 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.58 ' CE2' HD21 ' P' ' 23' A LEU . 36.5 t80 -55.54 -48.5 74.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 15.0 111.66 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' P' ' 67' ' ' ALA . 58.6 m-85 -66.9 14.53 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.917 0.34 . . . . 15.0 111.917 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.502 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.6 t -112.68 -24.5 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 15.0 110.208 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.423 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 52.2 m170 -122.91 34.48 5.12 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.074 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.58 HD21 ' CE2' ' P' ' 20' ' ' PHE . 0.8 OUTLIER -45.63 -58.62 3.29 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.042 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -57.84 -9.71 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.692 0.282 . . . . 15.0 111.381 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.431 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 74.6 m-80 -142.51 70.19 21.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 15.0 108.457 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.639 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 31.4 Cg_exo -63.38 56.15 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.723 2.949 . . . . 15.0 113.979 -177.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.532 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.6 p90 -154.75 120.32 2.66 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.581 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.707 ' HG3' HG12 ' P' ' 45' ' ' VAL . 10.1 Cg_endo -49.95 -150.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.242 2.628 . . . . 15.0 112.409 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.965 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 45.1 t -147.78 169.48 19.66 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.153 -1.795 . . . . 15.0 106.153 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -49.96 -53.83 23.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 118.887 0.767 . . . . 15.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.0 -31.18 69.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.559 -0.292 . . . . 15.0 110.646 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.965 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -64.64 -55.46 20.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 15.0 110.754 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.739 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.08 -24.57 63.03 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.121 -0.632 . . . . 15.0 110.392 178.762 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.519 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 51.3 mt-10 -75.86 -60.53 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 15.0 109.923 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.08 -48.61 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.954 -0.388 . . . . 15.0 109.954 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.653 HD12 HG11 ' P' ' 45' ' ' VAL . 95.7 mt -55.26 -61.86 2.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.712 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.424 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.19 -30.77 28.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 15.0 111.845 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.521 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.04 -45.02 36.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.978 0.894 . . . . 15.0 109.495 179.163 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.452 ' HE2' HG23 ' P' ' 15' ' ' ILE . 50.4 mtpt -67.44 -48.03 68.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.923 -1.49 . . . . 15.0 111.962 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.6 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 4.6 p -74.12 -50.33 19.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.579 -0.737 . . . . 15.0 112.104 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.65 22.33 5.44 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.242 -0.743 . . . . 15.0 111.242 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.953 HD11 HG22 ' P' ' 45' ' ' VAL . 21.0 pt -109.08 -162.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.553 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -121.72 145.49 47.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.739 HG13 ' HG3' ' P' ' 31' ' ' LYS . 17.5 t -27.29 -74.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.551 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.437 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.2 m -43.05 -32.56 0.69 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.437 0.902 . . . . 15.0 113.437 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.553 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.5 mm-40 -66.44 -38.13 86.72 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.519 -0.472 . . . . 15.0 110.308 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.953 HG22 HD11 ' P' ' 40' ' ' ILE . 66.1 t -57.51 -55.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.291 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -54.98 -27.27 42.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.159 0.505 . . . . 15.0 110.332 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.56 -51.46 16.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.29 178.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.49 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 53.7 t90 -57.12 -59.66 4.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.432 -0.803 . . . . 15.0 110.784 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.633 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.3 m-85 -48.31 -57.39 6.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.952 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.577 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.72 -35.45 7.63 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.672 -0.775 . . . . 15.0 112.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.35 -34.1 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 15.0 111.202 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' P' ' 20' ' ' PHE . 4.7 mmmp? -55.25 -47.27 75.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.419 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.7 ' NH1' HD11 ' P' ' 54' ' ' ILE . 17.1 ptt85 -61.91 -43.99 97.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.195 0.522 . . . . 15.0 110.102 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.857 HG22 ' HE3' ' P' ' 58' ' ' LYS . 28.7 mm -56.57 -69.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.865 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.483 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 15.5 ttp-105 -49.38 -28.52 5.12 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.783 0.325 . . . . 15.0 111.049 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.726 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.1 OUTLIER -57.95 -62.75 1.59 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.205 0.526 . . . . 15.0 110.096 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.674 ' HA ' ' HE2' ' P' ' 57' ' ' LYS . 9.6 mmpt? -45.78 -18.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.395 0.887 . . . . 15.0 113.395 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.857 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -79.92 -38.34 32.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.318 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' P' ' 62' ' ' LYS . 51.5 m-20 -134.94 41.14 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.584 HG23 ' HE1' ' P' ' 56' ' ' TYR . 28.2 mm -13.79 -72.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 114.779 1.4 . . . . 15.0 114.779 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.86 -24.22 13.03 Favored Glycine 0 C--N 1.336 0.583 0 CA-C-N 116.108 -0.496 . . . . 15.0 113.972 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 4.0 ttmp? -70.15 -36.85 75.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.952 0.406 . . . . 15.0 110.036 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 36.1 m-85 -83.09 -21.04 33.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.68 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.07 -68.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.779 -0.823 . . . . 15.0 108.779 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.458 ' O ' HG13 ' P' ' 69' ' ' ILE . 6.3 mp0 -51.18 -43.42 61.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.646 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 5.5 mm-40 -58.04 -53.01 63.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.453 0.644 . . . . 15.0 109.579 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.431 ' HA ' ' CD1' ' P' ' 21' ' ' TYR . . . -43.74 -44.1 6.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.943 -1.026 . . . . 15.0 111.111 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -80.75 -26.1 37.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.632 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.458 HG13 ' O ' ' P' ' 65' ' ' GLU . 35.5 mt -67.31 -58.05 7.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.576 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.923 -178.769 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 109.075 -0.713 . . . . 15.0 109.075 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' P' ' 8' ' ' PHE . 36.0 t30 -70.77 -97.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.932 -1.031 . . . . 15.0 112.468 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.955 ' CD1' HG21 ' P' ' 40' ' ' ILE . 51.2 m-85 -59.1 110.05 0.97 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 118.372 0.533 . . . . 15.0 111.346 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.8 t-20 -66.22 165.92 12.94 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.444 -0.798 . . . . 15.0 111.188 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.498 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 31.5 mmmt -53.64 -24.8 15.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.077 0.465 . . . . 15.0 110.795 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.568 HE21 HD11 ' P' ' 15' ' ' ILE . 71.2 tp60 -72.1 -47.56 50.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.488 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.615 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.21 -44.54 95.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 15.0 111.946 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.488 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 65.2 p -54.79 -56.32 20.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.911 -0.586 . . . . 15.0 112.055 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 16.6 pt-20 -54.39 -39.77 67.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.376 0.607 . . . . 15.0 110.847 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' P' ' 38' ' ' SER . 76.2 mt -67.05 -56.47 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.129 -0.941 . . . . 15.0 112.387 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.57 HD22 ' HE1' ' P' ' 49' ' ' PHE . 78.0 mt -60.72 -47.48 86.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.57 0.582 . . . . 15.0 112.57 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.493 ' HB2' ' CE2' ' P' ' 21' ' ' TYR . 23.5 p30 -60.98 -52.26 65.77 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.511 -0.475 . . . . 15.0 111.331 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 46.3 mt-10 -46.52 -38.25 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 15.0 110.952 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.518 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.8 t80 -78.38 -41.98 31.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.041 0.448 . . . . 15.0 110.191 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' P' ' 52' ' ' LYS . 30.7 t80 -49.88 -51.28 41.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.004 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.529 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 63.3 m-85 -58.52 7.0 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.572 0.582 . . . . 15.0 112.572 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.522 ' H ' ' C ' ' P' ' 20' ' ' PHE . 48.8 m -109.94 -22.63 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 15.0 110.511 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' P' ' 23' C ASN . 63.4 m170 -126.44 37.6 4.28 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.342 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.606 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.3 -61.97 1.45 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.937 0.347 . . . . 15.0 111.937 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 55.7 m -58.66 -12.9 4.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.049 0.388 . . . . 15.0 112.049 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.46 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 16.4 p30 -153.36 67.18 6.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.645 -0.502 . . . . 15.0 109.645 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.708 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 15.8 Cg_exo -70.11 65.46 2.0 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.276 2.651 . . . . 15.0 112.786 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.622 ' O ' ' O ' ' P' ' 26' ' ' PRO . 0.2 OUTLIER -130.04 106.21 16.55 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.862 -0.608 . . . . 15.0 109.835 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.622 ' O ' ' O ' ' P' ' 25' ' ' TYR . 10.2 Cg_endo -49.64 -150.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.389 2.06 . . . . 15.0 111.179 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 1.018 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 56.0 m -159.55 168.41 26.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.564 -1.643 . . . . 15.0 106.564 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -46.86 -51.59 16.31 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.156 -0.618 . . . . 15.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -69.76 -34.72 74.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.479 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 1.018 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.79 -58.15 7.71 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 121.288 -0.165 . . . . 15.0 110.874 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.615 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -57.81 -24.0 55.26 Favored 'General case' 0 N--CA 1.461 0.079 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.082 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.499 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 39.5 mt-10 -75.82 -59.12 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.485 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.56 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.21 -50.7 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.192 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.802 HD12 HG11 ' P' ' 45' ' ' VAL . 97.3 mt -53.49 -60.92 2.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.985 0.421 . . . . 15.0 110.349 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.425 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.88 -31.34 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.588 . . . . 15.0 112.259 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.529 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.4 OUTLIER -76.09 -46.14 30.46 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.98 0.895 . . . . 15.0 109.54 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.442 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.8 mtpp -67.63 -45.46 75.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.871 -1.513 . . . . 15.0 111.598 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.615 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.4 m -73.9 -52.16 13.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.313 -0.858 . . . . 15.0 112.177 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 18.76 6.02 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.144 -0.782 . . . . 15.0 111.144 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.955 HG21 ' CD1' ' P' ' 8' ' ' PHE . 18.2 pt -108.93 -161.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.56 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.3 t -121.8 146.2 47.31 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.462 -0.94 . . . . 15.0 108.462 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.615 HG13 ' CB ' ' P' ' 31' ' ' LYS . 5.1 t -28.04 -74.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 123.352 0.408 . . . . 15.0 111.681 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.55 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.2 m -42.65 -32.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.509 0.929 . . . . 15.0 113.509 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.56 ' OE1' HG22 ' P' ' 41' ' ' THR . 86.7 mt-30 -66.85 -34.25 77.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.317 -0.553 . . . . 15.0 110.367 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.802 HG11 HD12 ' P' ' 34' ' ' LEU . 58.6 t -62.45 -58.4 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.561 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -53.22 -27.26 21.05 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.333 0.587 . . . . 15.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -73.8 -50.91 18.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.237 -0.892 . . . . 15.0 109.258 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.475 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 79.1 t90 -57.61 -58.26 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.433 -0.803 . . . . 15.0 111.02 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.57 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.3 m-85 -48.38 -58.41 4.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.612 -0.722 . . . . 15.0 111.674 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -39.19 -56.73 2.23 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.157 -0.544 . . . . 15.0 113.578 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.33 -23.19 63.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.577 0.227 . . . . 15.0 111.508 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' P' ' 20' ' ' PHE . 0.4 OUTLIER -60.19 -45.24 93.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -179.048 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.708 ' HB3' ' HG2' ' P' ' 24' ' ' PRO . 8.6 ptm180 -68.49 -42.2 78.96 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.638 -0.505 . . . . 15.0 109.638 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.978 HG22 ' HE3' ' P' ' 58' ' ' LYS . 18.2 mm -54.4 -51.92 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.203 -1.036 . . . . 15.0 108.203 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' P' ' 55' ' ' ARG . 0.2 OUTLIER -53.3 -40.17 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.731 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.688 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -49.55 -60.21 3.07 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.925 -0.58 . . . . 15.0 111.127 179.475 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.601 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 60.8 mttt -52.27 -18.38 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.352 1.242 . . . . 15.0 114.352 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.978 ' HE3' HG22 ' P' ' 54' ' ' ILE . 1.1 mptm? -70.11 -38.04 75.5 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' P' ' 62' ' ' LYS . 2.5 m120 -139.01 45.34 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 15.0 112.881 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.601 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.8 mm -13.9 -71.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 115.109 1.522 . . . . 15.0 115.109 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.85 -23.77 23.82 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 116.094 -0.503 . . . . 15.0 113.981 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' P' ' 59' ' ' ASN . 60.9 tttm -71.22 -40.06 71.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.058 0.456 . . . . 15.0 110.257 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.637 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 38.5 m-85 -82.6 -23.89 34.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 15.0 111.685 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -64.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.423 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.7 tp10 -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.781 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 54.6 mt-10 -58.95 -52.76 64.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.281 -0.637 . . . . 15.0 109.281 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.8 -41.18 4.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.348 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -73.29 -39.17 65.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.016 0.436 . . . . 15.0 110.084 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.423 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.7 mt -59.16 -62.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.679 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . 0.529 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.3 m-85 . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 15.0 111.483 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.024 0.44 . . . . 15.0 111.013 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.46 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 51.6 t30 -55.36 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.045 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.886 ' CD2' HG21 ' P' ' 40' ' ' ILE . 12.1 m-85 -62.64 107.33 0.93 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 118.784 0.72 . . . . 15.0 111.17 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.58 175.76 3.94 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.866 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.473 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.2 OUTLIER -56.51 -21.38 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.334 . . . . 15.0 111.869 -179.375 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' P' ' 14' ' ' GLU . 49.8 tt0 -75.29 -48.17 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 15.0 110.558 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.646 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.23 -43.02 99.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.803 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -56.7 -55.07 38.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.582 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.437 ' HA ' HD21 ' P' ' 17' ' ' ASN . 0.1 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.288 0.566 . . . . 15.0 110.648 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' P' ' 38' ' ' SER . 97.5 mt -71.68 -55.77 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.868 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.646 HD22 ' HE1' ' P' ' 49' ' ' PHE . 74.1 mt -60.89 -43.62 98.24 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.485 ' HB2' ' CE2' ' P' ' 21' ' ' TYR . 17.4 p30 -60.39 -52.87 63.4 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.257 -0.577 . . . . 15.0 111.007 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 48.1 mt-10 -44.78 -36.65 3.32 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.85 0.357 . . . . 15.0 110.826 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.708 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -82.9 -37.45 24.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.395 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.636 ' CZ ' HD22 ' P' ' 23' A LEU . 27.8 t80 -51.83 -51.83 53.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.313 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 66.1 m-85 -58.0 6.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.771 -0.65 . . . . 15.0 112.675 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.505 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.9 t -110.62 -21.53 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 15.0 110.846 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' P' ' 23' C ASN . 55.4 m170 -129.54 36.29 4.12 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.342 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.645 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 6.5 mt -45.89 -64.08 0.82 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.311 0.486 . . . . 15.0 112.311 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 54.1 m -60.8 -12.65 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.432 0.53 . . . . 15.0 112.432 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.533 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 15.2 p30 -155.89 70.42 5.21 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.291 . . . . 15.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' O ' ' P' ' 23' A LEU . 73.4 Cg_endo -75.51 83.55 1.88 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.551 2.167 . . . . 15.0 112.879 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' P' ' 23' C ASN . 10.7 m-85 -132.19 82.69 57.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.844 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.778 ' HG3' HG12 ' P' ' 45' ' ' VAL . 61.0 Cg_endo -61.71 94.55 0.13 Allowed 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.955 2.436 . . . . 15.0 111.548 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.466 ' O ' ' O ' ' P' ' 26' ' ' PRO . 55.6 m -37.58 166.42 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.118 -0.946 . . . . 15.0 111.519 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 4.5 mm-40 -44.99 -45.34 10.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.602 -0.727 . . . . 15.0 110.694 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.79 -30.54 64.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.725 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.708 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -66.22 -56.2 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.371 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.898 ' HG3' HG13 ' P' ' 42' ' ' VAL . 2.5 ptmt -61.08 -23.45 65.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 15.0 110.16 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.514 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 86.3 mt-10 -75.59 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 15.0 109.202 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -57.85 -46.67 84.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.804 HD12 HG11 ' P' ' 45' ' ' VAL . 94.0 mt -55.26 -60.96 2.67 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.961 -0.563 . . . . 15.0 109.918 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.409 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.51 -31.01 44.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.686 . . . . 15.0 112.242 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.514 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.51 -46.62 31.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.92 0.867 . . . . 15.0 109.378 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.1 mtpp -66.05 -46.86 76.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 113.912 -1.495 . . . . 15.0 111.67 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.696 ' HA ' HD12 ' P' ' 15' ' ' ILE . 9.0 p -74.17 -51.79 14.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.182 -0.917 . . . . 15.0 112.549 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.04 6.46 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.206 -0.758 . . . . 15.0 111.206 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.886 HG21 ' CD2' ' P' ' 8' ' ' PHE . 19.0 pt -106.54 -163.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.535 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -120.66 141.93 49.93 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.898 HG13 ' HG3' ' P' ' 31' ' ' LYS . 28.9 t -23.72 -76.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 15.0 111.955 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.446 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.0 m -42.38 -30.26 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.473 0.916 . . . . 15.0 113.473 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.535 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 2.9 mm100 -66.76 -35.95 81.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-O 121.106 0.479 . . . . 15.0 110.152 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.822 HG22 HD11 ' P' ' 40' ' ' ILE . 57.9 t -61.22 -58.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.514 . . . . 15.0 110.56 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -52.95 -29.02 26.39 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.38 0.61 . . . . 15.0 109.88 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -51.82 15.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.049 -0.978 . . . . 15.0 109.355 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 38.4 t90 -57.7 -60.23 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.187 -0.915 . . . . 15.0 111.241 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.646 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.4 m-85 -47.95 -56.62 7.19 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.435 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.534 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.25 -45.56 6.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.542 -0.837 . . . . 15.0 112.689 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -68.95 -26.65 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.489 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 3.3 mmmp? -60.23 -47.29 86.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 15.0 111.441 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.754 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 12.0 ptt85 -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 15.0 109.794 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.906 HG22 ' HE3' ' P' ' 58' ' ' LYS . 24.4 mm -55.53 -58.8 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.196 -0.668 . . . . 15.0 109.196 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.48 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 48.7 mmt-85 -49.49 -38.25 29.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.895 0.379 . . . . 15.0 111.052 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 1.018 ' O ' HD13 ' P' ' 60' ' ' ILE . 20.3 t80 -47.2 -60.66 2.33 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.274 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.759 ' HA ' HD11 ' P' ' 60' ' ' ILE . 69.3 mmtt -45.83 -23.28 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.906 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.3 OUTLIER -86.68 -40.29 15.23 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.224 0.453 . . . . 15.0 112.224 -178.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' P' ' 60' ' ' ILE . 62.2 m-20 -137.19 30.91 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.779 1.029 . . . . 15.0 113.779 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 1.018 HD13 ' O ' ' P' ' 56' ' ' TYR . 7.6 mm -13.5 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 114.583 1.327 . . . . 15.0 114.583 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.48 -20.17 3.57 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.49 -0.777 . . . . 15.0 114.562 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 63.7 tttm -75.58 -35.38 60.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.021 0.439 . . . . 15.0 110.144 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 4.5 m-30 -75.13 -32.35 61.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.232 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.18 -65.06 0.71 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.954 0.406 . . . . 15.0 110.444 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.92 -52.19 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.3 mm-40 -55.3 -54.39 44.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' P' ' 63' ' ' PHE . . . -42.99 -40.31 2.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.268 -0.878 . . . . 15.0 110.636 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.75 -35.08 78.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.179 0.514 . . . . 15.0 109.717 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' P' ' 66' ' ' GLU . 62.9 mt -71.15 -45.78 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.397 -0.82 . . . . 15.0 110.642 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.338 179.612 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 . . . . . 0 N--CA 1.467 0.405 0 N-CA-C 108.018 -1.105 . . . . 15.0 108.018 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.53 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 9.5 t30 -63.3 -92.33 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.353 -1.294 . . . . 15.0 111.81 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.874 ' CD1' HG21 ' P' ' 40' ' ' ILE . 33.9 m-85 -58.9 107.21 0.5 Allowed 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 121.978 -0.451 . . . . 15.0 111.472 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . 0.413 HD22 ' HA ' ' P' ' 9' ' ' ASN . 0.7 OUTLIER -68.19 171.7 6.72 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.167 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -55.78 -20.88 16.53 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 111.907 0.336 . . . . 15.0 111.907 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.601 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 38.1 tt0 -72.44 -47.39 49.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.187 0.518 . . . . 15.0 110.239 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.61 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.88 -43.3 99.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.795 -0.639 . . . . 15.0 111.543 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 62.6 p -54.34 -56.76 15.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.646 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 22.2 pt-20 -53.49 -40.79 65.62 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.181 0.515 . . . . 15.0 111.038 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.438 HD13 ' C ' ' P' ' 37' ' ' LYS . 51.0 mt -70.31 -55.53 14.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 15.0 112.9 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.714 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.8 mt -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.497 0.555 . . . . 15.0 112.497 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' P' ' 13' ' ' THR . 21.2 p30 -60.61 -53.97 50.98 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.4 -0.52 . . . . 15.0 111.752 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.485 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 97.2 mt-10 -45.32 -46.0 12.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.68 0.276 . . . . 15.0 111.439 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.415 ' CD2' HD11 ' P' ' 34' ' ' LEU . 17.0 t80 -72.58 -38.23 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 15.0 110.216 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.775 ' CE1' HD21 ' P' ' 23' A LEU . 0.3 OUTLIER -53.26 -50.59 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.679 178.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 75.0 m-85 -57.26 5.41 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.513 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.5 t -109.56 -21.46 12.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.61 0.243 . . . . 15.0 110.827 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' P' ' 23' C ASN . 63.4 m170 -126.64 37.09 4.36 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.848 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.775 HD21 ' CE1' ' P' ' 20' ' ' PHE . 7.0 mt -44.8 -61.25 1.66 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.866 -0.333 . . . . 15.0 111.324 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 55.0 m -57.77 -8.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.685 0.254 . . . . 15.0 111.685 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.554 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 76.7 m-20 -150.05 65.96 7.71 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 109.629 -0.508 . . . . 15.0 109.629 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.64 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 19.5 Cg_exo -69.92 50.29 0.84 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.363 2.709 . . . . 15.0 114.152 -177.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' P' ' 26' ' ' PRO . 3.0 p90 -133.05 112.03 13.27 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.757 ' HG3' HG12 ' P' ' 45' ' ' VAL . 5.9 Cg_endo -47.2 -152.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.734 . . . . 15.0 112.935 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.996 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 59.4 m -152.94 170.75 19.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 106.458 -1.682 . . . . 15.0 106.458 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -49.32 -53.0 24.24 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 118.523 0.601 . . . . 15.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.34 -33.41 73.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.667 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.996 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.01 -55.85 22.12 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.098 -0.241 . . . . 15.0 110.639 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.638 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.64 -24.11 63.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.147 -0.621 . . . . 15.0 110.344 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.507 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.7 mt-10 -75.75 -60.31 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.634 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.7 pt-20 -58.56 -48.86 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.291 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.711 HD12 HG11 ' P' ' 45' ' ' VAL . 96.2 mt -55.85 -59.83 4.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.004 0.431 . . . . 15.0 110.561 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.43 -31.14 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 15.0 112.265 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.529 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.3 OUTLIER -76.08 -46.41 29.16 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 122.022 0.915 . . . . 15.0 109.266 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.438 ' C ' HD13 ' P' ' 15' ' ' ILE . 51.0 mtpt -67.04 -45.32 77.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.882 -1.508 . . . . 15.0 111.437 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.61 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 25.9 m -74.2 -51.46 15.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.244 -0.889 . . . . 15.0 112.233 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.91 7.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.11 -0.796 . . . . 15.0 111.11 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.874 HG21 ' CD1' ' P' ' 8' ' ' PHE . 25.1 pt -107.04 -162.55 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.549 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 8.4 t -121.27 144.18 48.76 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' P' ' 31' ' ' LYS . 9.5 t -26.73 -74.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.914 0.387 . . . . 15.0 111.689 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.509 ' N ' HG12 ' P' ' 42' ' ' VAL . 52.8 m -42.56 -31.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.293 0.849 . . . . 15.0 113.293 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.549 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 86.0 mm-40 -66.69 -35.16 79.49 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.487 -0.485 . . . . 15.0 110.314 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.823 HG22 HD11 ' P' ' 40' ' ' ILE . 61.2 t -61.92 -58.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.602 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -53.55 -27.44 26.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.285 0.564 . . . . 15.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.79 -51.13 17.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.215 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 52.3 t90 -57.64 -60.63 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.218 -0.901 . . . . 15.0 111.426 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.714 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.2 m-85 -47.9 -57.95 5.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.843 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.474 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -39.04 -51.71 2.68 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.996 -0.621 . . . . 15.0 113.367 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.49 -25.88 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.062 0.393 . . . . 15.0 112.062 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.522 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 31.2 mmmt -58.04 -49.39 77.03 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.554 0.205 . . . . 15.0 111.554 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 11.6 ptt85 -64.24 -42.04 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 15.0 110.021 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.941 HG22 ' HE3' ' P' ' 58' ' ' LYS . 27.7 mm -54.62 -54.1 25.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.332 -0.618 . . . . 15.0 109.332 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.467 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 46.4 mmm-85 -53.06 -32.3 46.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.987 0.422 . . . . 15.0 110.85 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.849 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 76.7 t80 -52.27 -62.99 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.819 -0.628 . . . . 15.0 110.765 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.728 ' HA ' HD11 ' P' ' 60' ' ' ILE . 71.7 mmtt -45.89 -22.03 0.17 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.186 0.81 . . . . 15.0 113.186 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.941 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.2 OUTLIER -87.13 -35.44 18.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.86 0.362 . . . . 15.0 110.648 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.67 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.9 p30 -134.53 31.54 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.728 HD11 ' HA ' ' P' ' 57' ' ' LYS . 39.4 mm -13.37 -69.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 114.894 1.442 . . . . 15.0 114.894 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.65 -19.46 6.54 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 114.653 0.621 . . . . 15.0 114.653 -177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.67 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 59.6 tttp -69.69 -39.64 76.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.767 0.283 . . . . 15.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.757 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.3 m-85 -78.0 -24.74 47.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.517 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -57.77 -70.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.437 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -52.09 -46.86 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.78 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 53.8 mt-10 -56.33 -53.8 53.03 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.406 0.622 . . . . 15.0 109.445 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.84 -43.67 6.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.881 -1.054 . . . . 15.0 110.551 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -70.38 -33.96 72.02 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.167 0.508 . . . . 15.0 110.288 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.437 HG13 ' O ' ' P' ' 65' ' ' GLU . 97.9 mt -67.4 -61.84 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.069 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . 0.454 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 57.9 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.586 -0.733 . . . . 15.0 111.708 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.66 0.743 . . . . 15.0 109.875 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.501 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 10.3 t30 -54.25 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.234 -178.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.877 ' CD1' HG21 ' P' ' 40' ' ' ILE . 19.0 m-85 -62.69 107.67 1.01 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 118.921 0.782 . . . . 15.0 111.349 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . 0.517 ' O ' HG23 ' P' ' 13' ' ' THR . 5.8 m-20 -69.09 176.67 3.07 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.594 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -58.12 -19.77 35.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 15.0 111.58 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -75.53 -48.78 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.245 0.545 . . . . 15.0 110.239 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.629 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.92 -40.94 97.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.688 -0.687 . . . . 15.0 111.819 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.517 HG23 ' O ' ' P' ' 9' ' ' ASN . 57.7 p -56.34 -55.31 35.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 15.0 112.036 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 17.7 pt-20 -56.23 -40.23 73.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.336 0.589 . . . . 15.0 110.833 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' P' ' 38' ' ' SER . 75.0 mt -67.78 -56.62 12.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.272 -0.876 . . . . 15.0 112.324 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.56 HD22 ' HE1' ' P' ' 49' ' ' PHE . 75.4 mt -61.46 -46.61 89.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.637 0.606 . . . . 15.0 112.637 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.6 p30 -60.85 -52.22 65.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.326 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.548 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 43.6 mt-10 -46.24 -39.05 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 15.0 111.044 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.641 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -77.19 -41.18 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 15.0 110.184 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.58 ' CE2' HD21 ' P' ' 23' A LEU . 5.6 t80 -51.15 -46.25 61.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 15.0 111.731 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 74.0 m-85 -65.8 11.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.933 0.345 . . . . 15.0 111.933 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.479 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.0 m -110.09 -25.49 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 15.0 110.313 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' P' ' 23' C ASN . 56.6 m170 -124.66 37.19 4.45 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.926 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.714 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.2 mt -45.51 -61.78 1.55 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.493 -0.321 . . . . 15.0 111.773 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -59.56 -14.25 12.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.426 0.528 . . . . 15.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.527 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 75.6 m-80 -161.07 69.59 2.58 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 120.633 0.254 . . . . 15.0 110.37 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.714 ' HD3' ' O ' ' P' ' 23' A LEU . 67.1 Cg_endo -74.29 80.96 2.11 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.569 2.18 . . . . 15.0 112.596 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' P' ' 23' C ASN . 10.8 m-85 -125.12 90.33 51.14 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.652 -0.704 . . . . 15.0 109.923 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.836 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.4 Cg_endo -64.19 92.08 0.18 Allowed 'Trans proline' 0 CA--C 1.51 -0.696 0 C-N-CA 122.469 2.113 . . . . 15.0 110.657 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.432 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 51.4 m -39.36 166.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.274 -179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.507 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 50.4 mt-10 -43.99 -45.31 7.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.425 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.84 -35.23 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.745 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -63.2 -57.82 9.24 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.772 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.93 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.65 -22.95 62.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 15.0 110.125 178.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.522 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 34.5 mt-10 -75.82 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.132 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.07 -49.42 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.5 -0.556 . . . . 15.0 109.5 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.741 HD12 HG11 ' P' ' 45' ' ' VAL . 95.9 mt -52.28 -61.34 2.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.93 0.395 . . . . 15.0 110.142 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.3 -30.93 52.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.021 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.8 -44.38 41.58 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.976 0.894 . . . . 15.0 109.31 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' P' ' 15' ' ' ILE . 25.1 mtpp -68.87 -45.97 69.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.884 -1.507 . . . . 15.0 111.616 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.629 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 34.6 m -73.62 -52.02 14.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.422 -0.808 . . . . 15.0 112.406 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.92 20.77 5.91 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.027 -0.829 . . . . 15.0 111.027 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' P' ' 8' ' ' PHE . 21.7 pt -108.05 -162.89 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.548 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 8.8 t -119.38 141.42 49.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.445 -0.946 . . . . 15.0 108.445 177.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.93 HG13 ' HG3' ' P' ' 31' ' ' LYS . 15.5 t -24.13 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.376 0.423 . . . . 15.0 111.604 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.529 ' N ' HG12 ' P' ' 42' ' ' VAL . 52.6 m -42.01 -30.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.355 0.872 . . . . 15.0 113.355 -178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.548 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 83.5 mm-40 -66.97 -33.83 76.43 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.403 -0.519 . . . . 15.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.874 HG22 HD11 ' P' ' 40' ' ' ILE . 60.2 t -64.46 -60.29 2.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.559 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -51.8 -26.98 10.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.338 0.59 . . . . 15.0 110.057 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -50.58 19.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.365 178.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.545 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 74.2 t90 -57.64 -59.58 4.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.493 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.56 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.8 m-85 -48.14 -58.82 3.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.44 -0.8 . . . . 15.0 111.83 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.484 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -38.93 -53.4 2.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.047 -0.597 . . . . 15.0 113.307 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -74.22 -23.15 59.14 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.63 0.233 . . . . 15.0 111.63 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.484 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 53.4 tptt -59.06 -42.87 91.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 15.0 110.981 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.649 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 15.7 ptt85 -71.1 -42.3 69.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.602 -0.518 . . . . 15.0 109.602 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.878 HG22 ' HE2' ' P' ' 58' ' ' LYS . 37.4 mm -54.68 -52.78 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 107.746 -1.205 . . . . 15.0 107.746 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.408 ' HG2' ' HZ ' ' P' ' 63' ' ' PHE . 34.9 ttm180 -51.35 -41.65 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.242 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.715 ' HA ' ' CE2' ' P' ' 63' ' ' PHE . 1.2 t80 -51.39 -59.92 3.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.714 -0.676 . . . . 15.0 111.013 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.495 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 75.2 mmtt -46.88 -18.17 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.944 1.09 . . . . 15.0 113.944 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.878 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.3 mptp? -75.6 -37.55 59.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.919 0.39 . . . . 15.0 110.363 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.6 m-80 -138.24 43.05 2.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.065 0.765 . . . . 15.0 113.065 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.495 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.5 mm -13.59 -71.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 115.056 1.502 . . . . 15.0 115.056 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.15 -22.61 29.7 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 116.044 -0.525 . . . . 15.0 114.308 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.2 tttm -74.02 -37.64 64.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 15.0 110.329 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.715 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 86.8 m-85 -79.83 -32.77 40.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 15.0 111.599 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.474 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 85.2 mt-30 -53.93 -61.66 2.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.601 -0.518 . . . . 15.0 109.601 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.478 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -52.12 -45.01 64.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.709 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.2 mt-10 -57.01 -51.62 68.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.028 -0.731 . . . . 15.0 109.028 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.42 -41.44 4.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.509 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -74.93 -33.59 61.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.501 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.478 HG13 ' O ' ' P' ' 65' ' ' GLU . 81.7 mt -64.83 -55.03 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.098 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.948 0.404 . . . . 15.0 111.115 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' P' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 112.736 0.643 . . . . 15.0 112.736 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.536 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 44.0 t30 -87.13 -83.81 0.19 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.986 -1.007 . . . . 15.0 109.886 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.624 ' CE2' ' HB2' ' P' ' 48' ' ' TRP . 1.2 m-30 -85.17 117.35 24.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.882 -0.414 . . . . 15.0 109.882 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -70.93 173.89 6.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.042 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -54.92 -26.85 38.87 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.766 0.317 . . . . 15.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.633 ' O ' HD12 ' P' ' 15' ' ' ILE . 3.9 tp-100 -68.29 -49.07 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 15.0 109.888 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.648 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.64 -48.16 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.516 -0.766 . . . . 15.0 111.351 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 73.4 p -53.16 -57.31 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 15.0 111.568 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.6 pt-20 -53.93 -40.69 66.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.276 0.56 . . . . 15.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.633 HD12 ' O ' ' P' ' 11' ' ' GLN . 37.4 mt -67.72 -54.45 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.507 -0.77 . . . . 15.0 111.989 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.718 HD22 ' HE1' ' P' ' 49' ' ' PHE . 80.6 mt -63.07 -48.92 76.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.536 0.569 . . . . 15.0 112.536 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.4 p30 -60.97 -53.11 61.29 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.372 -0.531 . . . . 15.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.503 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.9 mt-10 -47.32 -37.36 10.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.742 0.306 . . . . 15.0 111.025 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.4 ' OH ' ' CE1' ' P' ' 23' ' ' HIS . 19.4 t80 -82.93 -37.69 23.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.988 0.423 . . . . 15.0 109.919 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' P' ' 23' A LEU . 25.2 t80 -49.47 -48.92 47.38 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.73 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 71.4 m-85 -59.86 7.6 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.849 -0.614 . . . . 15.0 112.485 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.506 ' H ' ' C ' ' P' ' 20' ' ' PHE . 52.5 m -113.7 -23.47 9.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.7 0.286 . . . . 15.0 110.557 179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.435 ' HB3' ' OD1' ' P' ' 23' C ASN . 46.4 m170 -120.32 33.69 5.5 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.29 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.616 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.5 mt -47.13 -62.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.408 . . . . 15.0 111.57 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -59.23 -14.81 12.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 15.0 112.031 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.509 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 12.0 p30 -142.25 72.59 21.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.072 0.463 . . . . 15.0 110.365 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' O ' ' P' ' 23' A LEU . 45.8 Cg_endo -66.23 63.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.355 2.703 . . . . 15.0 113.713 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' P' ' 23' C ASN . 0.1 OUTLIER -154.21 99.3 2.51 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.331 -0.618 . . . . 15.0 109.331 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.788 ' HG3' HG12 ' P' ' 45' ' ' VAL . 95.6 Cg_endo -71.67 116.44 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.348 2.699 . . . . 15.0 113.239 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . . . . . . . . . 47.6 t -37.03 158.45 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.11 -0.95 . . . . 15.0 111.083 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.524 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -45.69 -42.7 11.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.716 -0.674 . . . . 15.0 110.82 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -75.73 -24.79 56.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.872 0.368 . . . . 15.0 110.753 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -67.85 -55.22 13.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.099 -0.5 . . . . 15.0 109.844 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.96 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -61.29 -21.74 64.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 15.0 110.205 178.477 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 89.0 mt-10 -75.43 -60.2 2.41 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 177.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.61 -46.16 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.263 -0.643 . . . . 15.0 109.263 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.704 HD12 HG11 ' P' ' 45' ' ' VAL . 96.4 mt -55.8 -61.27 2.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.11 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.54 -29.61 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 15.0 112.408 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.8 OUTLIER -75.34 -46.72 31.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.014 0.912 . . . . 15.0 108.652 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.47 ' HE3' HG23 ' P' ' 15' ' ' ILE . 26.1 mtpp -64.83 -50.48 66.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.842 -1.526 . . . . 15.0 110.426 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.648 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 36.5 p -74.05 -53.0 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.904 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.32 5.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 15.0 112.169 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.956 HD11 HG22 ' P' ' 45' ' ' VAL . 4.3 pt -101.56 -168.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.464 0.173 . . . . 15.0 110.695 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.522 ' O ' ' N ' ' P' ' 43' ' ' SER . 5.1 t -108.56 84.84 2.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.589 0.233 . . . . 15.0 110.773 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.96 HG13 ' HG3' ' P' ' 31' ' ' LYS . 16.4 t 19.59 -81.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 124.195 0.934 . . . . 15.0 112.066 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.601 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.6 m -45.49 -23.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.336 -0.393 . . . . 15.0 111.906 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.448 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 5.2 tp60 -67.2 -36.12 81.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.956 HG22 HD11 ' P' ' 40' ' ' ILE . 60.1 t -59.06 -56.82 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.946 -1.024 . . . . 15.0 110.16 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -56.12 -27.84 55.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.468 0.651 . . . . 15.0 110.052 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' P' ' 44' ' ' GLN . 3.9 m120 -73.34 -52.13 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.829 -1.078 . . . . 15.0 109.479 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.624 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 83.8 t90 -57.95 -53.56 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.306 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.718 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.8 m-85 -47.84 -53.02 16.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.45 -0.796 . . . . 15.0 111.19 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -54.09 -33.19 50.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.983 -1.103 . . . . 15.0 111.319 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . 0.475 ' HA ' HG12 ' P' ' 54' ' ' ILE . 20.0 t-20 -77.49 -37.11 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 15.0 110.813 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.504 ' HG3' ' CD2' ' P' ' 20' ' ' PHE . 27.8 tptp -60.3 -31.38 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 15.0 111.693 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.2 ptm180 -73.71 -38.09 64.95 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.099 -0.704 . . . . 15.0 109.099 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.917 HG22 ' HE2' ' P' ' 58' ' ' LYS . 7.7 mm -55.07 -56.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.51 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -49.87 -39.91 40.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.893 0.377 . . . . 15.0 110.717 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.674 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -51.49 -60.6 2.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.756 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.56 ' HA ' HD11 ' P' ' 60' ' ' ILE . 75.0 mmtt -47.07 -19.03 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.202 1.186 . . . . 15.0 114.202 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.917 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.2 mptp? -75.3 -38.54 60.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.922 0.391 . . . . 15.0 110.635 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' P' ' 62' ' ' LYS . 47.5 m-20 -139.32 42.93 2.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.882 0.697 . . . . 15.0 112.882 -178.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' P' ' 57' ' ' LYS . 45.2 mm -13.58 -71.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 114.914 1.45 . . . . 15.0 114.914 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.46 -25.03 26.02 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 116.153 -0.476 . . . . 15.0 113.626 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.4 tmtm? -71.19 -39.89 71.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.674 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 44.2 m-85 -79.54 -31.16 42.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 15.0 111.617 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.5 mt-30 -51.48 -64.4 0.83 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.437 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.4 tt0 -51.93 -44.07 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.616 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 55.2 mt-10 -57.04 -52.01 66.97 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.14 -40.41 3.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.759 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -73.76 -35.02 64.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 15.0 110.343 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.437 HG13 ' O ' ' P' ' 65' ' ' GLU . 77.2 mt -66.62 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.804 -0.634 . . . . 15.0 111.025 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.859 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 N--CA 1.463 0.178 0 N-CA-C 109.175 -0.676 . . . . 15.0 109.175 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 19.1 t30 -66.06 -98.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.074 -0.966 . . . . 15.0 111.195 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.859 ' CD1' HG21 ' P' ' 40' ' ' ILE . 12.5 m-85 -56.17 100.35 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 118.575 0.625 . . . . 15.0 111.093 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -64.79 170.76 3.9 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.453 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -52.2 -21.23 3.17 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.753 0.311 . . . . 15.0 111.482 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.609 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 50.7 tt0 -77.93 -45.43 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.138 0.494 . . . . 15.0 110.268 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.635 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.62 -43.38 97.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 15.0 112.051 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.6 p -57.6 -55.22 37.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.706 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.5 pt-20 -52.36 -40.36 61.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.449 0.642 . . . . 15.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' P' ' 38' ' ' SER . 75.1 mt -69.61 -55.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 15.0 113.104 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.483 HD22 HG13 ' P' ' 45' ' ' VAL . 89.2 mt -60.08 -47.51 85.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.81 0.67 . . . . 15.0 112.81 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.557 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.1 p30 -60.98 -52.32 65.52 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.307 -0.557 . . . . 15.0 111.319 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 47.9 mt-10 -46.36 -39.8 10.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.751 0.31 . . . . 15.0 110.918 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.721 ' CD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -77.93 -39.96 41.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.108 0.48 . . . . 15.0 110.166 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.552 ' CE2' HD21 ' P' ' 23' A LEU . 5.6 t80 -51.83 -51.36 57.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.492 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 66.5 m-85 -59.08 5.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.487 0.551 . . . . 15.0 112.487 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.493 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.2 m -108.88 -23.64 11.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 15.0 110.53 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' P' ' 23' C ASN . 59.1 m170 -125.89 38.4 4.16 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.134 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.678 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.5 mt -45.79 -63.48 0.96 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.11 0.411 . . . . 15.0 112.11 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 56.3 m -58.99 -13.48 6.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.21 0.448 . . . . 15.0 112.21 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.505 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 15.9 p-10 -157.89 72.07 4.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.689 0.28 . . . . 15.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.678 ' HD3' ' O ' ' P' ' 23' A LEU . 58.7 Cg_endo -72.43 81.43 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.475 2.117 . . . . 15.0 112.059 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' P' ' 23' C ASN . 18.9 m-85 -128.62 89.0 50.6 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.85 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 72.2 Cg_endo -65.16 89.61 0.2 Allowed 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 122.67 2.247 . . . . 15.0 111.032 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.508 ' O ' ' O ' ' P' ' 26' ' ' PRO . 55.9 m -35.52 166.36 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.968 0.793 . . . . 15.0 111.609 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.2 mt-10 -44.35 -45.8 9.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.483 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -30.33 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.583 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.807 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -67.15 -57.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.217 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.949 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.45 -22.99 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.148 0.499 . . . . 15.0 109.795 178.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.0 mt-10 -75.87 -60.67 2.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.337 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.7 pt-20 -59.59 -47.58 85.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.748 HD13 ' HE2' ' P' ' 49' ' ' PHE . 96.5 mt -53.54 -61.5 2.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.074 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.42 ' HA ' HG13 ' P' ' 40' ' ' ILE . . . -56.21 -29.43 60.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 15.0 112.105 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.525 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.1 -47.14 25.61 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.107 0.956 . . . . 15.0 109.273 179.328 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.447 ' C ' HD13 ' P' ' 15' ' ' ILE . 25.0 mtpp -67.47 -44.62 78.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.751 -1.568 . . . . 15.0 111.389 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.667 ' HA ' HD12 ' P' ' 15' ' ' ILE . 46.6 m -73.89 -54.09 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.383 -0.826 . . . . 15.0 112.471 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.43 15.83 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.43 -0.668 . . . . 15.0 111.43 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.907 HD11 HG22 ' P' ' 45' ' ' VAL . 12.2 pt -104.4 -166.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.6 t -116.81 137.55 52.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.63 -0.878 . . . . 15.0 108.63 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.949 HG13 ' HG3' ' P' ' 31' ' ' LYS . 32.2 t -21.46 -78.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.066 0.395 . . . . 15.0 112.066 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.499 ' N ' HG12 ' P' ' 42' ' ' VAL . 46.2 m -43.16 -29.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 15.0 112.396 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.6 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 52.1 tp60 -67.06 -37.8 84.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.134 0.492 . . . . 15.0 110.003 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.907 HG22 HD11 ' P' ' 40' ' ' ILE . 74.9 t -60.04 -55.35 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.97 -22.16 24.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.234 0.54 . . . . 15.0 110.685 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -74.05 -50.29 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.361 -0.836 . . . . 15.0 109.848 178.512 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.527 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 76.6 t90 -57.5 -63.31 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.209 -0.905 . . . . 15.0 112.213 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.748 ' HE2' HD13 ' P' ' 34' ' ' LEU . 47.5 m-85 -47.72 -56.7 6.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.233 -0.894 . . . . 15.0 112.303 -178.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -43.55 -47.65 7.22 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.557 -0.83 . . . . 15.0 112.442 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . 0.494 ' HA ' HG12 ' P' ' 54' ' ' ILE . 48.2 t30 -73.69 -30.59 62.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 15.0 111.053 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.431 ' HG3' ' CE1' ' P' ' 20' ' ' PHE . 21.4 tptm -60.26 -43.78 95.87 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.334 -0.394 . . . . 15.0 112.046 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.89 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.5 ptm180 -65.38 -40.01 92.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.094 -0.706 . . . . 15.0 109.094 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.895 HG22 ' HE3' ' P' ' 58' ' ' LYS . 4.5 mm -53.42 -54.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.322 -0.621 . . . . 15.0 109.322 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.477 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 67.2 mtp180 -51.55 -31.64 25.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.794 0.33 . . . . 15.0 111.257 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.89 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.4 OUTLIER -50.6 -63.46 1.12 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.637 0.732 . . . . 15.0 110.475 179.002 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.567 ' HA ' HD11 ' P' ' 60' ' ' ILE . 70.9 mmtt -47.54 -22.21 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.59 -1.186 . . . . 15.0 113.488 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.895 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.6 OUTLIER -77.78 -40.12 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.005 0.431 . . . . 15.0 110.55 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' P' ' 60' ' ' ILE . 59.2 m-20 -133.89 41.24 3.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.941 0.719 . . . . 15.0 112.941 -178.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.613 HG23 ' HE1' ' P' ' 56' ' ' TYR . 41.3 mm -13.8 -72.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 114.834 1.42 . . . . 15.0 114.834 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.9 45.06 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 114.543 0.577 . . . . 15.0 114.543 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.0 tttm -70.57 -41.07 72.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.26 0.552 . . . . 15.0 110.193 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.804 ' CD2' ' HA ' ' P' ' 56' ' ' TYR . 88.9 m-85 -77.35 -32.62 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.874 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 85.9 mt-30 -53.9 -63.77 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.871 0.367 . . . . 15.0 110.327 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.401 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -51.42 -44.25 62.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.769 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.85 -50.94 72.1 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.81 -42.98 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.908 -1.042 . . . . 15.0 110.536 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.36 -35.91 68.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.064 0.459 . . . . 15.0 110.387 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.401 HG13 ' O ' ' P' ' 65' ' ' GLU . 84.6 mt -63.22 -61.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.944 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . 0.492 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.1 m-85 . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.888 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 112.29 0.478 . . . . 15.0 112.29 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.547 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 64.6 t30 -56.14 -95.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.785 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.569 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.2 m-85 -67.79 107.46 2.61 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 118.696 0.68 . . . . 15.0 111.867 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.9 t-20 -63.28 167.35 5.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.619 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.493 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 64.0 mttp -56.61 -23.5 41.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.093 0.473 . . . . 15.0 110.594 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -70.82 -48.11 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.256 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.609 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.91 -36.86 82.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.417 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 75.2 p -61.31 -54.27 46.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 15.0 111.844 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 18.6 pt-20 -57.0 -44.17 82.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.313 0.578 . . . . 15.0 110.64 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.462 HG23 ' HE3' ' P' ' 37' ' ' LYS . 52.8 mt -59.88 -61.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.104 -0.953 . . . . 15.0 111.882 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.66 HD22 ' HE1' ' P' ' 49' ' ' PHE . 55.2 mt -58.04 -45.68 86.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.458 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.487 ' HB3' ' HE1' ' P' ' 21' ' ' TYR . 42.9 m-20 -48.05 -64.73 0.71 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.77 0.319 . . . . 15.0 111.244 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' P' ' 70' ' ' TYR . 51.8 mt-10 -39.82 -42.1 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.826 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.681 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.9 t80 -79.74 -35.65 38.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.525 ' CZ ' ' CD2' ' P' ' 23' A LEU . 19.3 t80 -53.08 -51.7 60.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.621 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.491 ' CE1' ' CD2' ' P' ' 70' ' ' TYR . 42.1 m-85 -63.97 10.64 0.05 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.315 0.487 . . . . 15.0 112.315 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.481 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.1 t -109.65 -22.96 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 15.0 110.064 178.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' P' ' 23' C ASN . 47.5 m170 -126.72 34.8 4.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.071 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.726 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.88 -61.74 1.61 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.059 0.392 . . . . 15.0 112.059 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 53.7 m -58.37 -13.45 5.36 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.847 0.314 . . . . 15.0 111.847 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.588 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 5.4 p30 -142.94 71.71 18.87 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.499 -0.926 . . . . 15.0 108.499 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.726 ' HD3' ' O ' ' P' ' 23' A LEU . 37.7 Cg_endo -70.43 67.26 2.14 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.89 2.393 . . . . 15.0 113.746 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.588 ' CZ ' ' HB2' ' P' ' 23' C ASN . 8.1 p90 -153.34 120.56 2.98 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.959 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.612 ' HG3' HG12 ' P' ' 45' ' ' VAL . 17.9 Cg_endo -54.96 -152.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.271 2.647 . . . . 15.0 112.492 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 1.011 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 53.6 m -147.27 169.45 19.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.999 -1.852 . . . . 15.0 105.999 178.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -49.61 -52.47 30.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 118.965 0.802 . . . . 15.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 16.7 pt-20 -70.39 -30.75 67.72 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.737 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 1.011 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -66.39 -56.7 9.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.708 -0.224 . . . . 15.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.768 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.94 -24.48 62.54 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 120.113 -0.635 . . . . 15.0 110.233 178.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.528 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.5 mt-10 -76.03 -60.33 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 15.0 109.939 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.15 -48.03 81.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 15.0 110.258 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.627 HD11 ' CD2' ' P' ' 19' ' ' TYR . 96.0 mt -56.02 -60.47 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.186 0.517 . . . . 15.0 110.569 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.11 -28.2 38.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.487 -0.779 . . . . 15.0 112.424 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.64 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.8 OUTLIER -76.24 -45.6 32.13 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.136 0.97 . . . . 15.0 109.142 179.325 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.462 ' HE3' HG23 ' P' ' 15' ' ' ILE . 26.5 mtpp -67.42 -48.1 68.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.593 -1.639 . . . . 15.0 111.832 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.609 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 42.7 m -74.01 -52.63 12.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.762 -0.654 . . . . 15.0 112.261 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.12 20.07 5.72 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.152 -0.779 . . . . 15.0 111.152 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.725 HD11 HG22 ' P' ' 45' ' ' VAL . 9.4 pt -105.15 -165.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.487 -0.561 . . . . 15.0 109.487 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.526 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.3 t -120.11 139.51 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.55 -0.908 . . . . 15.0 108.55 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.768 HG13 ' HG3' ' P' ' 31' ' ' LYS . 9.0 t -23.82 -75.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.523 ' N ' HG12 ' P' ' 42' ' ' VAL . 49.9 m -44.06 -30.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.542 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 2.6 mm100 -66.83 -40.86 88.12 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.128 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.725 HG22 HD11 ' P' ' 40' ' ' ILE . 87.7 t -54.42 -54.21 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.811 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.09 -27.63 46.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.295 0.569 . . . . 15.0 110.391 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.8 -51.33 16.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.232 -0.894 . . . . 15.0 109.26 178.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 64.0 t90 -57.83 -58.15 9.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.925 -1.034 . . . . 15.0 111.717 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.66 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.8 m-85 -47.89 -55.35 10.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.493 -0.776 . . . . 15.0 111.993 -178.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -51.42 -38.12 41.44 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.474 -0.87 . . . . 15.0 112.846 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.31 -36.09 78.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.655 0.264 . . . . 15.0 111.701 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.2 mmmt -60.13 -41.28 92.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.791 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 5.2 ptm180 -61.36 -42.36 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.423 0.63 . . . . 15.0 109.436 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.876 HG22 ' HE3' ' P' ' 58' ' ' LYS . 9.1 mm -54.16 -62.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.064 -177.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.557 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 42.7 mtt85 -53.41 -29.14 33.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.798 0.296 . . . . 15.0 111.798 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.791 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -52.24 -62.75 1.44 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.682 0.753 . . . . 15.0 109.82 178.202 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.592 ' HA ' HD11 ' P' ' 60' ' ' ILE . 72.5 mmtt -48.04 -19.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.516 -1.22 . . . . 15.0 114.04 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.876 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -77.26 -39.0 49.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.041 0.448 . . . . 15.0 110.616 -179.312 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' P' ' 62' ' ' LYS . 57.2 m-20 -135.82 41.66 2.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.724 0.638 . . . . 15.0 112.724 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' P' ' 57' ' ' LYS . 43.3 mm -13.91 -71.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 114.769 1.396 . . . . 15.0 114.769 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.29 43.25 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 116.063 -0.517 . . . . 15.0 114.192 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' P' ' 62' ' ' LYS . 5.9 tmtm? -70.84 -40.93 72.11 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.378 -0.601 . . . . 15.0 109.378 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.708 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 94.3 m-85 -73.81 -35.37 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.847 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.538 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.9 mt-30 -50.94 -61.54 2.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 15.0 109.931 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.415 ' O ' HG13 ' P' ' 69' ' ' ILE . 89.1 tt0 -50.03 -44.6 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.597 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.418 ' HB3' ' CE2' ' P' ' 70' ' ' TYR . 49.8 mt-10 -56.55 -50.57 71.49 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.86 -45.88 7.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.462 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -70.51 -30.58 67.39 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.941 0.4 . . . . 15.0 110.751 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.415 HG13 ' O ' ' P' ' 65' ' ' GLU . 93.7 mt -70.85 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.038 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . 0.491 ' CD2' ' CE1' ' P' ' 21' ' ' TYR . 56.8 m-85 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.645 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . 0.403 ' HB3' HH11 ' P' ' 6' ' ' ARG . 2.0 ptm85 . . . . . 0 N--CA 1.463 0.199 0 N-CA-C 108.142 -1.059 . . . . 15.0 108.142 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.533 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 8.7 t30 -61.46 -92.58 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.548 -1.206 . . . . 15.0 111.472 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.875 ' CD1' HG21 ' P' ' 40' ' ' ILE . 34.5 m-85 -60.25 109.43 0.98 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.263 0.483 . . . . 15.0 110.73 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.77 171.08 9.75 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 10.0 mtmp? -53.99 -24.65 17.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.702 0.287 . . . . 15.0 111.604 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 67.4 tp60 -72.35 -47.96 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.618 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.1 -44.11 97.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.566 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.475 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 72.2 p -54.24 -56.97 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.752 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.7 pt-20 -53.49 -41.63 66.44 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.411 0.624 . . . . 15.0 110.924 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' P' ' 38' ' ' SER . 69.6 mt -67.14 -56.39 13.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.304 -0.862 . . . . 15.0 112.657 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.598 HD22 ' HE1' ' P' ' 49' ' ' PHE . 79.1 mt -60.2 -48.68 80.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.552 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.3 p30 -60.32 -53.01 62.69 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.152 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.552 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 65.1 mm-40 -44.06 -39.31 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 15.0 110.909 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.514 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -80.05 -39.1 30.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.76 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.611 ' CE1' HD21 ' P' ' 23' A LEU . 1.2 t80 -53.33 -51.0 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.808 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 69.6 m-85 -60.83 8.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.41 0.522 . . . . 15.0 112.41 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.507 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.9 t -105.42 -22.27 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 15.0 110.43 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' P' ' 23' C ASN . 65.7 m170 -129.4 35.29 4.26 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.283 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.679 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.5 mt -39.97 -63.05 0.64 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.074 0.398 . . . . 15.0 112.074 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 80.5 p -58.39 -9.41 1.56 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.46 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 18.1 p30 -160.51 65.74 2.36 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.943 0.402 . . . . 15.0 109.963 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' P' ' 23' A LEU . 8.1 Cg_exo -72.98 67.76 4.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.0 2.467 . . . . 15.0 112.244 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.638 ' O ' ' O ' ' P' ' 26' ' ' PRO . 11.8 m-85 -124.97 103.04 30.83 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.356 -0.838 . . . . 15.0 109.545 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.638 ' O ' ' O ' ' P' ' 25' ' ' TYR . 6.7 Cg_endo -47.73 -151.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.556 2.17 . . . . 15.0 111.786 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 1.012 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 54.1 m -158.52 169.85 23.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 106.753 -1.573 . . . . 15.0 106.753 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 66.7 mm-40 -47.77 -51.64 21.6 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.311 -0.556 . . . . 15.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -70.14 -33.8 72.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 15.0 110.581 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 1.012 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -64.0 -56.96 11.27 Favored 'General case' 0 CA--C 1.523 -0.077 0 C-N-CA 121.179 -0.208 . . . . 15.0 110.84 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.649 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.12 -24.26 58.07 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.164 -0.614 . . . . 15.0 109.933 178.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' P' ' 28' ' ' GLU . 40.8 mt-10 -75.76 -59.95 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.669 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.5 pt-20 -58.84 -49.68 76.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.13 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.753 HD12 HG11 ' P' ' 45' ' ' VAL . 97.0 mt -55.31 -60.18 3.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.845 0.355 . . . . 15.0 110.43 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.89 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.04 -46.92 26.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 122.019 0.914 . . . . 15.0 109.256 179.322 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.481 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.7 mtpp -67.82 -44.46 77.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 113.839 -1.528 . . . . 15.0 111.392 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.618 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 43.2 m -73.94 -52.38 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.277 -0.874 . . . . 15.0 112.289 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.65 15.56 7.41 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.256 -0.738 . . . . 15.0 111.256 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.892 HD11 HG22 ' P' ' 45' ' ' VAL . 18.4 pt -105.77 -164.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.519 ' O ' ' N ' ' P' ' 44' ' ' GLN . 8.6 t -118.39 141.26 48.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.649 HG13 ' CB ' ' P' ' 31' ' ' LYS . 5.0 t -25.23 -76.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.734 0.302 . . . . 15.0 111.608 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.582 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.0 m -42.77 -29.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.715 0.635 . . . . 15.0 112.715 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.586 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 24.2 tp60 -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.303 0.573 . . . . 15.0 109.834 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.892 HG22 HD11 ' P' ' 40' ' ' ILE . 58.8 t -64.51 -58.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.92 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -52.55 -25.08 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.361 0.6 . . . . 15.0 110.142 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . 0.423 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.73 -50.23 21.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.053 177.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.509 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 71.5 t90 -58.46 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.188 -0.915 . . . . 15.0 111.901 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.598 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.8 m-85 -48.0 -60.23 2.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.715 -0.675 . . . . 15.0 112.684 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.539 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -44.57 -46.74 8.86 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.71 -0.757 . . . . 15.0 112.926 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . 0.413 ' HA ' HG12 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -73.38 -30.5 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.751 0.278 . . . . 15.0 111.751 -179.477 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 21.7 tptm -59.98 -39.71 86.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.896 0.332 . . . . 15.0 111.896 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.669 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.9 ptm85 -70.04 -39.43 75.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.291 0.567 . . . . 15.0 109.53 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.927 HG22 ' HE2' ' P' ' 58' ' ' LYS . 14.7 mm -54.11 -53.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.13 -0.693 . . . . 15.0 109.13 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 38.2 mmt-85 -55.63 -33.73 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.131 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.718 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.1 t80 -52.59 -59.57 4.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.156 0.503 . . . . 15.0 110.44 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.621 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 44.7 mttt -52.21 -19.79 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.995 1.109 . . . . 15.0 113.995 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.927 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.1 mptp? -70.88 -38.81 73.08 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' P' ' 62' ' ' LYS . 58.4 m-20 -138.01 41.47 2.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.453 0.909 . . . . 15.0 113.453 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.621 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.0 mm -13.95 -70.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.402 1.26 . . . . 15.0 114.402 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.74 -25.11 35.26 Favored Glycine 0 C--N 1.335 0.521 0 CA-C-N 115.88 -0.6 . . . . 15.0 114.118 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 39.9 ttmt -72.93 -39.46 66.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.121 0.486 . . . . 15.0 110.089 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.718 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.0 m-85 -74.88 -31.7 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -56.01 -59.73 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.412 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.8 tp10 -52.92 -49.15 66.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.507 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 65.7 mm-40 -55.46 -54.52 42.79 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.07 -41.68 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -69.42 -37.36 77.42 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 15.0 110.004 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' P' ' 66' ' ' GLU . 76.5 mt -66.73 -43.3 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 15.0 110.202 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . 0.403 ' HB3' ' OE2' ' P' ' 18' ' ' GLU . 14.2 m-85 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.88 -0.6 . . . . 15.0 111.424 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 112.204 0.446 . . . . 15.0 112.204 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.546 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 65.7 t30 -55.71 -94.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.393 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.625 ' CD2' HG21 ' P' ' 40' ' ' ILE . 5.0 m-85 -69.21 108.51 3.67 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.672 0.669 . . . . 15.0 111.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -67.78 174.26 3.75 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.43 ' HZ1' ' HB2' ' P' ' 10' ' ' LYS . 9.9 mtmp? -58.1 -17.7 19.94 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.553 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 40.1 tt0 -74.1 -48.09 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 15.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.667 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.67 -43.04 94.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.888 -0.597 . . . . 15.0 111.802 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.482 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 54.3 p -55.66 -56.25 22.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.014 -0.539 . . . . 15.0 111.737 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.3 pt-20 -54.17 -38.55 65.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.213 0.53 . . . . 15.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.414 HG13 ' HG3' ' P' ' 14' ' ' GLU . 49.4 mt -73.27 -54.56 15.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.837 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.661 HD22 ' HE1' ' P' ' 49' ' ' PHE . 73.4 mt -62.26 -43.92 97.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -178.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 22.5 p30 -60.43 -53.0 62.81 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.244 -0.583 . . . . 15.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 96.8 mt-10 -46.04 -45.33 15.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 15.0 111.061 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.696 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.9 t80 -71.35 -41.08 70.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 15.0 110.038 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.809 ' CE1' HD21 ' P' ' 23' A LEU . 0.5 OUTLIER -52.49 -49.47 64.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.992 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.4 m-85 -61.05 14.19 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.107 0.78 . . . . 15.0 113.107 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.494 ' H ' ' C ' ' P' ' 20' ' ' PHE . 80.9 p -115.96 -20.87 9.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.893 0.315 . . . . 15.0 110.903 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' P' ' 24' ' ' PRO . 60.5 m170 -129.47 34.56 4.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.624 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.809 HD21 ' CE1' ' P' ' 20' ' ' PHE . 1.3 mt -39.77 -58.09 1.42 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.893 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 52.3 m -64.61 -12.28 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.582 0.586 . . . . 15.0 112.582 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.512 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 45.2 t30 -165.13 60.94 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.702 0.286 . . . . 15.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.581 ' C ' ' HD1' ' P' ' 25' ' ' TYR . 7.4 Cg_exo -73.36 83.72 1.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.995 2.463 . . . . 15.0 111.959 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.581 ' HD1' ' C ' ' P' ' 24' ' ' PRO . 2.5 m-30 -121.46 92.38 48.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.714 -0.847 . . . . 15.0 108.714 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.838 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.2 Cg_endo -63.73 91.12 0.16 Allowed 'Trans proline' 0 CA--C 1.509 -0.736 0 C-N-CA 122.837 2.358 . . . . 15.0 111.217 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.426 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 46.7 t -41.22 168.74 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.229 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -43.91 -46.66 8.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.678 -0.692 . . . . 15.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.65 -35.55 75.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.386 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.747 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -62.89 -58.28 7.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.835 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.868 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.42 -22.83 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.972 0.415 . . . . 15.0 110.367 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.515 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 37.7 mt-10 -75.82 -59.58 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.7 pt-20 -58.64 -49.29 78.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.766 -0.457 . . . . 15.0 109.766 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.689 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -52.98 -60.91 2.69 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 121.117 0.484 . . . . 15.0 109.929 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.91 -30.92 59.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.606 -0.725 . . . . 15.0 112.453 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.87 -45.38 35.88 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 122.083 0.945 . . . . 15.0 109.298 179.304 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -67.61 -46.99 70.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 113.77 -1.559 . . . . 15.0 111.712 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.667 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 61.1 m -74.13 -53.03 10.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 15.0 112.627 -178.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.14 20.67 5.13 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.202 -0.759 . . . . 15.0 111.202 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.703 HD11 HG22 ' P' ' 45' ' ' VAL . 9.7 pt -107.01 -165.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.521 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.2 t -119.85 140.02 51.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.505 -0.924 . . . . 15.0 108.505 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.868 HG13 ' HG3' ' P' ' 31' ' ' LYS . 10.0 t -24.36 -75.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.133 0.492 . . . . 15.0 112.202 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.558 ' N ' HG12 ' P' ' 42' ' ' VAL . 49.0 m -43.07 -30.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.317 0.858 . . . . 15.0 113.317 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.563 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 2.7 mm100 -66.73 -41.0 88.6 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.4 -0.52 . . . . 15.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.774 HG12 ' HG3' ' P' ' 26' ' ' PRO . 79.3 t -53.73 -54.43 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.637 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.33 -28.76 55.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.228 0.537 . . . . 15.0 110.399 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.79 -51.93 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.35 -0.841 . . . . 15.0 109.622 178.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.612 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 54.8 t90 -56.97 -58.02 9.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.343 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.661 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.6 m-85 -47.92 -54.69 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.165 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -50.51 -38.7 35.61 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.55 -0.833 . . . . 15.0 112.909 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . 0.457 ' HA ' HG12 ' P' ' 54' ' ' ILE . 78.4 m-20 -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.811 0.3 . . . . 15.0 111.811 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.579 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.3 mmmm -53.01 -40.06 63.57 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.904 0.335 . . . . 15.0 111.904 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.856 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.5 ptp180 -66.5 -38.96 88.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 15.0 109.167 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.837 HG22 ' HE3' ' P' ' 58' ' ' LYS . 13.8 mm -55.5 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.474 -0.784 . . . . 15.0 109.049 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 27.2 mmm180 -49.64 -32.48 13.17 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.088 0.47 . . . . 15.0 110.603 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.856 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 68.9 t80 -53.73 -62.73 1.46 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.365 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.777 ' HA ' HD11 ' P' ' 60' ' ' ILE . 72.4 mmtt -45.67 -21.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.402 0.89 . . . . 15.0 113.402 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.837 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.3 OUTLIER -87.31 -36.1 18.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 15.0 110.865 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.654 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.1 p30 -134.93 30.2 3.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.846 1.054 . . . . 15.0 113.846 -176.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.822 HD12 ' CE2' ' P' ' 56' ' ' TYR . 38.3 mm -13.37 -68.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 114.818 1.414 . . . . 15.0 114.818 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.31 -21.87 9.36 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 114.365 0.506 . . . . 15.0 114.365 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.654 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 1.5 tmtp? -69.59 -39.12 77.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.698 0.285 . . . . 15.0 110.719 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.71 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.6 m-85 -77.52 -24.0 50.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.608 HE21 HG22 ' P' ' 60' ' ' ILE . 70.3 mt-30 -62.48 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.722 -0.391 . . . . 15.0 110.281 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.459 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.0 tt0 -51.28 -48.22 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 15.0 110.252 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 64.1 mm-40 -59.35 -51.86 68.12 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.408 -0.59 . . . . 15.0 109.408 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' P' ' 63' ' ' PHE . . . -43.79 -42.43 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.131 -0.941 . . . . 15.0 110.135 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.46 -38.43 77.75 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 121.111 0.481 . . . . 15.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.459 HG13 ' O ' ' P' ' 65' ' ' GLU . 78.2 mt -63.44 -46.67 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.788 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.572 179.82 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 108.211 -1.033 . . . . 15.0 108.211 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 9.7 t30 -64.29 -93.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.2 -1.364 . . . . 15.0 112.616 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.98 ' CD1' HG21 ' P' ' 40' ' ' ILE . 49.2 m-85 -61.04 109.04 0.97 Allowed 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 121.995 -0.441 . . . . 15.0 111.139 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -69.0 175.46 3.71 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.329 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -59.47 -15.11 15.45 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.201 0.445 . . . . 15.0 112.201 -179.06 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.574 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.7 tp-100 -78.63 -47.36 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.252 0.549 . . . . 15.0 110.073 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.631 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.12 -42.77 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.566 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.0 p -54.98 -56.08 23.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.655 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.0 pt-20 -54.46 -38.83 66.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.22 0.534 . . . . 15.0 110.992 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' P' ' 38' ' ' SER . 67.2 mt -71.61 -54.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 15.0 112.534 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.65 HD22 ' HE1' ' P' ' 49' ' ' PHE . 76.6 mt -61.36 -46.4 90.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.237 0.458 . . . . 15.0 112.237 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -61.28 -52.4 64.89 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.465 -0.494 . . . . 15.0 111.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.2 mt-10 -47.95 -39.16 18.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 15.0 111.032 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.453 ' HD2' HD11 ' P' ' 34' ' ' LEU . 14.9 t80 -79.57 -38.43 34.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.595 ' CZ ' ' CD2' ' P' ' 23' A LEU . 21.4 t80 -51.18 -49.53 60.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.491 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 61.5 m-85 -61.48 9.12 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.3 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.505 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.8 t -111.93 -24.74 9.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 15.0 110.512 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' P' ' 24' ' ' PRO . 54.1 m170 -123.06 35.53 4.85 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.814 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.595 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.3 mt -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.825 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.7 t -59.69 -18.15 40.04 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.124 0.416 . . . . 15.0 112.124 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.482 ' HB2' ' CE2' ' P' ' 25' ' ' TYR . 17.7 p30 -155.59 66.74 4.73 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 15.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' P' ' 23' A LEU . 17.4 Cg_exo -68.18 87.87 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.887 2.391 . . . . 15.0 112.089 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' P' ' 23' C ASN . 15.8 m-85 -132.99 86.26 43.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.795 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.795 ' C ' ' HB3' ' P' ' 30' ' ' ALA . 74.5 Cg_endo -64.05 86.14 0.15 Allowed 'Trans proline' 0 CA--C 1.51 -0.684 0 C-N-CA 122.388 2.059 . . . . 15.0 110.35 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.471 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 44.1 t -39.88 168.91 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.464 -0.789 . . . . 15.0 111.368 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -44.14 -46.89 8.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.302 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -70.43 -32.85 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.721 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.795 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -67.26 -58.24 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 15.0 110.545 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.869 ' HG3' HG13 ' P' ' 42' ' ' VAL . 3.2 ptmt -59.39 -23.97 63.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.043 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.513 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.4 mt-10 -75.51 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.8 pt-20 -58.17 -48.85 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.188 -0.671 . . . . 15.0 109.188 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.695 HD12 HG11 ' P' ' 45' ' ' VAL . 96.0 mt -53.07 -61.75 2.1 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 15.0 109.98 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.444 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.75 -31.6 49.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 15.0 112.078 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.96 -44.57 39.23 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.967 0.889 . . . . 15.0 109.254 179.483 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.427 ' C ' HD13 ' P' ' 15' ' ' ILE . 25.7 mtpp -68.03 -46.61 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 113.89 -1.505 . . . . 15.0 111.449 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.631 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.4 m -73.65 -52.47 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.375 -0.83 . . . . 15.0 112.222 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.75 21.93 5.21 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.933 -0.867 . . . . 15.0 110.933 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.98 HG21 ' CD1' ' P' ' 8' ' ' PHE . 14.6 pt -109.76 -162.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.654 HG22 ' OE1' ' P' ' 44' ' ' GLN . 11.1 t -120.92 143.37 49.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.556 -0.905 . . . . 15.0 108.556 177.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.869 HG13 ' HG3' ' P' ' 31' ' ' LYS . 24.0 t -26.0 -75.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.454 0.471 . . . . 15.0 111.643 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.448 ' N ' HG12 ' P' ' 42' ' ' VAL . 53.0 m -42.6 -31.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.415 0.894 . . . . 15.0 113.415 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.654 ' OE1' HG22 ' P' ' 41' ' ' THR . 85.8 mt-30 -67.04 -35.91 80.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.422 -0.511 . . . . 15.0 110.238 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.794 HG22 HD11 ' P' ' 40' ' ' ILE . 59.1 t -61.93 -58.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.458 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -54.37 -26.56 30.85 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.337 0.589 . . . . 15.0 110.028 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.85 -51.03 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.207 -0.906 . . . . 15.0 109.151 178.225 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.48 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 70.9 t90 -57.29 -59.92 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.849 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.65 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.7 m-85 -48.44 -55.66 10.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.536 -0.756 . . . . 15.0 110.618 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.515 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -33.6 -65.65 0.29 Allowed Glycine 0 CA--C 1.519 0.322 0 CA-C-N 116.09 -0.504 . . . . 15.0 113.229 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . 0.402 ' HA ' HG12 ' P' ' 54' ' ' ILE . 5.7 m120 -71.81 -18.48 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.882 0.327 . . . . 15.0 111.882 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 54.6 tptt -58.76 -41.91 87.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.635 0.255 . . . . 15.0 111.191 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.595 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.3 ptt-85 -76.1 -40.42 53.04 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.998 -0.742 . . . . 15.0 108.998 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.911 HG22 ' HE3' ' P' ' 58' ' ' LYS . 17.9 mm -54.72 -53.28 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 N-CA-C 107.323 -1.362 . . . . 15.0 107.323 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.431 ' CA ' ' HD3' ' P' ' 58' ' ' LYS . 0.0 OUTLIER -51.6 -44.13 62.73 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.514 -0.766 . . . . 15.0 109.745 177.651 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.608 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.2 t80 -48.91 -57.26 6.72 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.992 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 77.8 mttt -52.29 -18.0 1.38 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.198 1.185 . . . . 15.0 114.198 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.911 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -69.12 -36.89 78.0 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.888 -0.782 . . . . 15.0 108.888 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' P' ' 62' ' ' LYS . 38.0 m-80 -140.54 46.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.397 -0.819 . . . . 15.0 113.176 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.606 HG22 HE21 ' P' ' 64' ' ' GLN . 48.4 mm -13.79 -71.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 115.079 1.511 . . . . 15.0 115.079 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . 0.403 ' HA2' ' NE2' ' P' ' 64' ' ' GLN . . . -57.76 -26.19 57.18 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 116.048 -0.524 . . . . 15.0 114.236 -177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' P' ' 59' ' ' ASN . 1.2 tmtp? -66.14 -39.76 90.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.951 0.405 . . . . 15.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.608 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 31.5 m-85 -79.66 -21.46 44.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.293 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.606 HE21 HG22 ' P' ' 60' ' ' ILE . 72.0 mt-30 -60.81 -58.8 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.431 ' O ' HG13 ' P' ' 69' ' ' ILE . 40.9 tp10 -52.42 -49.01 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 15.0 109.811 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' P' ' 69' ' ' ILE . 65.5 mm-40 -57.4 -51.91 67.51 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.049 -0.723 . . . . 15.0 109.049 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.34 -41.79 4.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.888 -1.051 . . . . 15.0 110.491 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -72.51 -35.63 68.15 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.943 0.402 . . . . 15.0 110.412 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.431 HG13 ' O ' ' P' ' 65' ' ' GLU . 75.7 mt -64.48 -55.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.565 . . . . 15.0 110.975 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . 0.44 ' CG ' ' CE2' ' P' ' 21' ' ' TYR . 32.6 m-85 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 . . . . . 0 N--CA 1.467 0.396 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -56.6 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.525 -1.216 . . . . 15.0 111.986 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . 0.734 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.4 OUTLIER -69.75 107.68 3.59 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.867 0.365 . . . . 15.0 111.982 -178.509 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -71.12 -178.73 2.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.025 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -59.5 -16.01 21.61 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.363 0.505 . . . . 15.0 112.363 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.5 tp-100 -78.56 -47.7 16.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.263 0.554 . . . . 15.0 110.403 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 12' ' ' ALA . . . . . 0.636 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.9 -39.7 93.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.676 -0.693 . . . . 15.0 111.73 -179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . 0.486 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -59.11 -54.39 47.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.11 -0.495 . . . . 15.0 111.67 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 14' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.2 pt-20 -54.7 -37.63 66.05 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.25 0.547 . . . . 15.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 15' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' P' ' 38' ' ' SER . 68.2 mt -72.92 -55.46 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.948 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . 0.625 HD22 ' HE1' ' P' ' 49' ' ' PHE . 71.5 mt -61.63 -43.08 99.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.849 0.685 . . . . 15.0 112.849 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 17' ' ' ASN . . . . . 0.502 HD21 ' HA ' ' P' ' 14' ' ' GLU . 23.2 p30 -60.83 -52.25 65.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.259 -0.577 . . . . 15.0 111.029 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.501 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 51.6 mt-10 -47.11 -36.29 8.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.508 -0.315 . . . . 15.0 111.413 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 19' ' ' TYR . . . . . 0.667 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -80.75 -44.53 18.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 15.0 110.796 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.568 ' C ' ' H ' ' P' ' 22' ' ' SER . 3.4 t80 -49.41 -45.67 46.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.238 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . 0.521 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.4 m-85 -59.67 12.32 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.534 0.568 . . . . 15.0 112.534 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 22' ' ' SER . . . . . 0.568 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.1 m -116.74 -21.05 9.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.34 . . . . 15.0 110.552 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 23' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' P' ' 24' ' ' PRO . 52.8 m170 -122.88 34.39 5.15 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.168 -0.469 . . . . 15.0 110.703 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 23' A LEU . . . . . 0.546 ' CD2' ' CE1' ' P' ' 20' ' ' PHE . 2.1 mt -45.19 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.883 0.697 . . . . 15.0 112.883 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 23' B SER . . . . . . . . . . . . . 47.5 t -74.69 14.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.525 0.565 . . . . 15.0 112.525 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 23' C ASN . . . . . 0.609 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 20.1 p30 -173.5 56.07 0.19 Allowed Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 24' ' ' PRO . . . . . 0.609 ' HD3' ' N ' ' P' ' 23' C ASN . 7.0 Cg_exo -74.74 100.37 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.871 2.38 . . . . 15.0 115.094 -177.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.6 OUTLIER -154.75 98.89 2.43 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.761 -1.109 . . . . 15.0 109.509 176.131 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . 0.82 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 78.2 Cg_endo -65.88 105.08 0.76 Allowed 'Trans proline' 0 CA--C 1.514 -0.512 0 C-N-CA 123.109 2.54 . . . . 15.0 112.135 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 27' ' ' SER . . . . . 0.457 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 56.1 m -42.17 162.51 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.548 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 28' ' ' GLU . . . . . 0.68 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -43.36 -44.42 5.61 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.114 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.99 -32.27 69.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.927 0.394 . . . . 15.0 110.344 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.667 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -62.51 -57.14 12.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.99 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 31' ' ' LYS . . . . . 0.82 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -58.36 -23.13 55.93 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 120.52 -0.472 . . . . 15.0 110.313 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . 0.508 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 44.4 mt-10 -75.56 -59.18 2.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.242 -0.651 . . . . 15.0 109.242 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.5 pt-20 -58.48 -50.2 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.933 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.784 HD12 HG11 ' P' ' 45' ' ' VAL . 96.5 mt -53.31 -62.17 1.83 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.98 0.419 . . . . 15.0 110.284 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.66 -31.78 38.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 15.0 112.029 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 36' ' ' LYS . . . . . 0.512 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.01 -43.89 42.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.946 0.879 . . . . 15.0 109.408 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' P' P ' 37' ' ' LYS . . . . . 0.419 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.7 mtpp -68.41 -48.38 64.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.039 -1.437 . . . . 15.0 111.619 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 38' ' ' SER . . . . . 0.636 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.1 m -73.59 -52.17 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.44 -0.8 . . . . 15.0 112.148 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.19 23.37 4.89 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.134 -0.786 . . . . 15.0 111.134 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 40' ' ' ILE . . . . . 0.78 HD11 HG22 ' P' ' 45' ' ' VAL . 17.2 pt -109.26 -162.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . 0.539 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -120.47 142.01 49.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.326 -0.99 . . . . 15.0 108.326 177.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 42' ' ' VAL . . . . . 0.813 HG13 ' HG3' ' P' ' 31' ' ' LYS . 7.2 t -25.49 -75.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.842 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 43' ' ' SER . . . . . 0.552 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.3 m -42.43 -31.26 0.4 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.372 0.879 . . . . 15.0 113.372 -178.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . 0.539 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 2.8 mm100 -66.51 -36.18 82.08 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.457 -0.497 . . . . 15.0 110.288 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . 0.784 HG11 HD12 ' P' ' 34' ' ' LEU . 59.7 t -60.77 -57.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.574 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -54.7 -28.87 50.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.297 0.57 . . . . 15.0 110.277 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.66 -51.74 15.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.11 178.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . 0.534 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 57.4 t90 -56.99 -58.8 6.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.956 -1.02 . . . . 15.0 110.603 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . 0.625 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.7 m-85 -48.4 -54.96 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.588 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 50' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -33.41 -62.43 0.39 Allowed Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.976 -0.557 . . . . 15.0 113.952 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' P' ' 48' ' ' TRP . 9.3 p-10 -67.73 -17.17 64.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.83 0.678 . . . . 15.0 112.83 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 52' ' ' LYS . . . . . 0.514 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.6 mmmt -60.16 -51.23 70.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.217 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . 0.738 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.5 ptt-85 -65.74 -41.87 91.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 54' ' ' ILE . . . . . 0.829 HG22 ' HE2' ' P' ' 58' ' ' LYS . 27.1 mm -54.62 -55.86 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.205 -0.665 . . . . 15.0 109.205 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 55' ' ' ARG . . . . . 0.455 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 14.0 mmt85 -55.63 -33.15 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.682 0.277 . . . . 15.0 110.963 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 56' ' ' TYR . . . . . 0.738 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 5.2 t80 -49.69 -57.78 6.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.322 0.582 . . . . 15.0 110.149 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 57' ' ' LYS . . . . . 0.607 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 34.2 mttt -52.67 -21.58 4.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 58' ' ' LYS . . . . . 0.829 ' HE2' HG22 ' P' ' 54' ' ' ILE . 2.2 mptp? -72.31 -39.82 67.94 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.384 -0.599 . . . . 15.0 109.384 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.6 m-20 -136.43 43.6 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.481 -0.781 . . . . 15.0 113.063 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 60' ' ' ILE . . . . . 0.607 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 35.3 mm -13.51 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 115.093 1.516 . . . . 15.0 115.093 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.88 -24.47 54.03 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-N 115.867 -0.606 . . . . 15.0 114.465 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 62' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' P' ' 62' ' ' LYS . 7.5 tmtm? -65.72 -40.38 92.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.151 0.501 . . . . 15.0 109.91 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 63' ' ' PHE . . . . . 0.708 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 31.0 m-85 -79.94 -24.42 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.798 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 64' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 81.9 mt-30 -55.07 -65.19 0.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 65' ' ' GLU . . . . . 0.441 ' O ' HG13 ' P' ' 69' ' ' ILE . 41.6 tp10 -52.25 -45.77 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.627 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 66' ' ' GLU . . . . . 0.666 ' OE1' HD12 ' P' ' 69' ' ' ILE . 5.4 mm-40 -55.7 -53.81 52.01 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 67' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.89 -43.57 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.704 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.96 -33.79 66.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.028 0.442 . . . . 15.0 110.422 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 69' ' ' ILE . . . . . 0.666 HD12 ' OE1' ' P' ' 66' ' ' GLU . 96.9 mt -64.95 -62.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.923 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 70' ' ' TYR . . . . . 0.521 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 65.4 m-85 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.419 -0.81 . . . . 15.0 111.514 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.579 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.926 0 C4'-C3'-C2' 104.884 1.684 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.8 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.921 1.656 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.8 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C3'-C2'-C1' 101.623 -0.769 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.694 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C3'-C2'-C1' 101.948 -0.537 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.694 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C1'-O4'-C4' 110.205 0.361 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.544 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C3'-C2'-C1' 100.851 -1.32 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.991 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 105.464 1.974 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.991 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 107.466 1.242 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.752 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.729 0 C3'-C2'-C1' 99.706 -2.139 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.752 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.754 0 C3'-C2'-C1' 104.688 1.42 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.533 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 104.189 0.989 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.834 " H1'" " O5'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.092 0.902 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.834 " O5'" " H1'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 N19-C1'-C2' 115.109 0.568 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.825 " O5'" H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.253 0.395 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.57 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 O4'-C1'-C2' 106.707 0.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.57 ' N3 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 106.664 0.512 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.835 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C2'-C3'-O3' 113.68 1.141 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.852 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C2'-C3'-O3' 113.376 1.028 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.852 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 C3'-C2'-C1' 101.858 -0.601 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 1.003 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C4'-C3'-C2' 100.929 -2.271 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 1.003 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.534 0.927 0 C2'-C3'-O3' 114.292 1.368 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.713 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.434 -1.115 0 O4'-C1'-C2' 107.902 1.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.994 ' C8 ' ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.359 -0.841 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 1.027 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.901 0 O4'-C1'-N19 109.324 1.904 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.741 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.519 -0.884 0 O4'-C4'-C3' 103.721 -1.879 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.741 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.438 0.576 0 O4'-C1'-C2' 107.807 1.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.641 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 106.227 0.627 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.498 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C3'-C2'-C1' 102.112 -0.42 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . 0.552 ' O ' ' HB3' ' P' ' 1' ' ' ALA . 56.4 ttp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.805 0.336 . . . . 15.0 111.161 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.571 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . 77.14 178.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.827 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.467 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 98.6 mtt180 -50.56 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 15.0 111.288 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.48 ' HG3' " O5'" ' A' ' 9' ' ' ' DT' . 0.0 OUTLIER -175.37 171.13 2.93 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.551 0.574 . . . . 15.0 112.551 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 1.027 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.44 -49.91 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.748 178.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.811 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 12.9 mtp-105 -161.39 -100.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.612 -0.722 . . . . 15.0 109.387 -178.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 48.36 -48.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.802 1.038 . . . . 15.0 113.802 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.719 ' N ' ' O ' ' P' ' 5' ' ' ARG . 35.2 t30 -55.27 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.908 0.336 . . . . 15.0 111.908 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.93 ' CD1' HG21 ' P' ' 40' ' ' ILE . 30.0 m-85 -57.0 100.49 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 118.55 0.614 . . . . 15.0 111.699 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -68.35 176.41 2.82 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.765 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' P' ' 10' ' ' LYS . 1.0 OUTLIER -55.72 -20.13 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.957 0.355 . . . . 15.0 111.957 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.5 tp-100 -75.29 -47.7 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 15.0 110.806 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.612 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.82 -41.71 97.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.886 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -56.24 -55.04 38.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 15.0 111.49 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 23.1 pt-20 -54.99 -40.55 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 15.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.449 HG13 ' HG3' ' P' ' 14' ' ' GLU . 46.7 mt -72.72 -55.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 113.307 0.854 . . . . 15.0 113.307 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.67 HD22 ' HE1' ' P' ' 49' ' ' PHE . 67.3 mt -59.32 -42.98 92.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 7.0 p30 -60.6 -53.36 58.36 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.504 -0.479 . . . . 15.0 111.162 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 49.7 mt-10 -46.45 -43.65 16.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.467 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.469 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 15.7 t80 -76.89 -38.29 53.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 15.0 110.203 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' P' ' 23' A LEU . 0.5 OUTLIER -52.19 -48.57 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.009 178.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.455 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 64.5 m-85 -63.66 11.02 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.459 ' H ' ' C ' ' P' ' 20' ' ' PHE . 60.0 p -114.17 -23.22 9.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.752 0.31 . . . . 15.0 110.325 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.401 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 47.8 m170 -121.85 34.68 5.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.115 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.83 HD21 ' CE1' ' P' ' 20' ' ' PHE . 6.5 mt -46.42 -56.79 5.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.81 0.338 . . . . 15.0 110.555 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 53.9 m -58.21 -7.54 0.86 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.347 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 23' C ASN . . . . . . . . . . . . . 74.7 m-80 -142.53 75.13 19.26 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 108.611 -0.885 . . . . 15.0 108.611 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.516 ' HD3' ' O ' ' P' ' 23' A LEU . 33.3 Cg_endo -63.88 48.93 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.604 2.869 . . . . 15.0 114.253 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.2 p90 -154.8 122.53 2.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.658 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.652 ' HG3' HG12 ' P' ' 45' ' ' VAL . 11.8 Cg_endo -51.45 -150.57 0.0 OUTLIER 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.212 2.608 . . . . 15.0 112.105 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.993 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 51.5 m -145.82 168.82 19.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.361 -1.718 . . . . 15.0 106.361 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 24.3 pt-20 -50.26 -52.45 36.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 118.906 0.776 . . . . 15.0 110.968 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 12.5 pt-20 -70.78 -29.78 66.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.978 -0.289 . . . . 15.0 110.598 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.993 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -65.51 -55.62 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.608 -0.269 . . . . 15.0 110.662 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.732 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.18 -23.4 62.2 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 120.186 -0.606 . . . . 15.0 110.202 178.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.511 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 94.2 mt-10 -75.75 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.87 -0.605 . . . . 15.0 109.823 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.58 -48.77 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.127 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.604 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -54.71 -61.36 2.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.106 0.479 . . . . 15.0 110.598 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.424 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.02 -30.34 59.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 15.0 112.139 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.4 OUTLIER -76.37 -46.32 27.94 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 122.123 0.963 . . . . 15.0 109.362 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.95 -46.69 73.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 113.715 -1.584 . . . . 15.0 111.712 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.612 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.5 m -73.94 -52.35 13.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.55 -0.75 . . . . 15.0 112.154 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.85 19.33 5.68 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.15 -0.78 . . . . 15.0 111.15 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.93 HG21 ' CD1' ' P' ' 8' ' ' PHE . 17.8 pt -107.59 -163.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.628 -0.508 . . . . 15.0 109.628 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.497 HG22 ' CD ' ' P' ' 44' ' ' GLN . 10.4 t -121.15 143.34 49.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.569 -0.9 . . . . 15.0 108.569 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.732 HG13 ' HG3' ' P' ' 31' ' ' LYS . 16.5 t -26.38 -74.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 123.475 0.485 . . . . 15.0 112.039 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.469 ' N ' HG12 ' P' ' 42' ' ' VAL . 54.5 m -44.02 -31.63 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.526 ' HB3' ' CE1' ' P' ' 8' ' ' PHE . 25.8 mt-30 -67.44 -37.73 83.44 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.242 -0.583 . . . . 15.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.832 HG22 HD11 ' P' ' 40' ' ' ILE . 67.2 t -56.3 -54.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.56 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.97 -27.52 53.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.238 0.542 . . . . 15.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.51 -51.95 15.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.275 -0.875 . . . . 15.0 109.293 178.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.602 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 66.4 t90 -57.26 -56.41 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.224 -0.898 . . . . 15.0 111.224 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.67 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -48.0 -55.9 8.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.77 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.538 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -47.15 -38.7 11.81 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.814 -0.708 . . . . 15.0 113.221 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -71.98 -32.14 66.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.957 0.354 . . . . 15.0 111.957 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.602 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 13.4 mmmm -59.75 -45.68 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.769 0.285 . . . . 15.0 111.769 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.671 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 2.1 ptm85 -60.63 -44.93 95.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.252 0.549 . . . . 15.0 109.723 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.906 HG22 ' HE3' ' P' ' 58' ' ' LYS . 12.1 mm -55.68 -62.0 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.373 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 44.5 ttp180 -49.72 -31.97 12.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.795 0.331 . . . . 15.0 110.544 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.744 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -57.11 -60.09 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.15 0.5 . . . . 15.0 110.46 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.652 ' HE2' ' HA ' ' P' ' 57' ' ' LYS . 10.8 mmpt? -46.27 -17.41 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.426 0.899 . . . . 15.0 113.426 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.906 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -81.09 -38.59 27.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.645 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' P' ' 62' ' ' LYS . 3.4 m120 -135.53 41.62 2.74 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.795 0.665 . . . . 15.0 112.795 -178.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.503 HD11 ' HA ' ' P' ' 57' ' ' LYS . 40.7 mm -13.86 -72.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 114.905 1.446 . . . . 15.0 114.905 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.58 -23.19 13.19 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-N 116.069 -0.514 . . . . 15.0 114.1 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.3 tttm -74.21 -38.79 63.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.261 0.553 . . . . 15.0 109.988 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.744 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.5 m-85 -80.23 -29.09 38.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.401 -0.818 . . . . 15.0 111.581 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 84.3 mt-30 -56.97 -65.83 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.425 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -51.57 -42.56 61.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.756 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.0 mt-10 -59.31 -51.23 70.82 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.044 -0.724 . . . . 15.0 109.044 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.631 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.72 -41.39 4.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.878 -1.055 . . . . 15.0 110.399 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.996 0.427 . . . . 15.0 110.336 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.425 HG13 ' O ' ' P' ' 65' ' ' GLU . 91.1 mt -62.27 -60.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.624 . . . . 15.0 110.828 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.455 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 56.3 m-85 -66.45 -32.08 73.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.451 -0.795 . . . . 15.0 111.59 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.825 ' O ' HG23 ' P' ' 74' ' ' THR . . . -56.91 -56.62 19.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.561 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.32 -25.29 14.39 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.044 0.387 . . . . 15.0 112.044 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.567 ' O ' HG12 ' P' ' 76' ' ' VAL . 0.4 OUTLIER -99.24 40.56 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.679 0.276 . . . . 15.0 111.729 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.825 HG23 ' O ' ' P' ' 71' ' ' ALA . 39.5 p -90.58 -19.31 23.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.582 -0.281 . . . . 15.0 111.154 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.86 4.03 20.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.48 -0.327 . . . . 15.0 111.812 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.567 HG12 ' O ' ' P' ' 73' ' ' LYS . 10.2 p -83.86 130.8 35.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.734 0.302 . . . . 15.0 111.189 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . 0.546 HG23 HG22 ' P' ' 76' ' ' VAL . 81.7 p 53.29 96.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.185 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.225 -0.893 . . . . 15.0 111.159 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.612 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.526 0.838 0 C4'-C3'-C2' 104.888 1.688 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.612 ' C5 ' " H1'" ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.858 1.599 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.607 ' OP2' H2'' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 101.648 -0.752 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.536 ' C6 ' H2'' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C4'-C3' 106.175 0.575 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.61 ' C2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C1'-O4'-C4' 107.848 -1.323 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.417 H2'' ' OP2' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C3'-C2'-C1' 100.537 -1.545 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.641 ' N2 ' ' C2 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O4'-C1'-N19 108.457 0.821 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.86 " H2'" ' H72' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.339 1.126 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.895 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 99.45 -2.322 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.895 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.79 0 C3'-C2'-C1' 104.648 1.391 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.463 H2'' ' C5 ' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 103.974 0.774 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.832 " H1'" " O5'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.432 0.79 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.832 " O5'" " H1'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 107.527 1.297 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.61 " O5'" " H4'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C4'-C3'-C2' 104.425 1.225 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.61 ' N2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O5'-C5'-C4' 110.945 0.532 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.61 ' N3 ' ' N2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 101.538 -0.83 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.657 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C3'-C2'-C1' 104.613 1.367 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.791 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.409 -0.869 0 C4'-C3'-C2' 104.999 1.799 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.791 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C4'-C3'-C2' 103.74 0.54 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.972 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C4'-C3'-C2' 101.086 -2.114 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.972 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.444 0.994 0 C2'-C3'-O3' 114.229 1.344 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.716 H2'' " O4'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.437 -0.805 0 C3'-C2'-C1' 105.047 1.676 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.803 " O3'" ' HA ' ' P' ' 2' ' ' ARG . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 O4'-C1'-N19 108.852 1.316 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.853 " H5'" ' O ' ' P' ' 2' ' ' ARG . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 O4'-C1'-N19 109.206 1.758 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.782 H5'' ' O ' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C4'-C3' 104.254 -1.346 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.74 " O4'" " H5'" ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.602 0 C3'-C2'-C1' 104.993 1.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.74 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 106.141 0.541 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.524 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C4'-C3' 106.155 0.555 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . 0.545 ' O ' " H1'" ' A' ' 9' ' ' ' DT' . 25.3 ptt? . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.662 0.267 . . . . 15.0 111.501 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' P' ' 0' ' ' MET . . . -167.57 26.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.441 -0.345 . . . . 15.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.853 ' O ' " H5'" ' B' ' 24' ' ' ' DT' . 32.9 mmm-85 -63.38 37.04 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.253 0.834 . . . . 15.0 113.253 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.602 ' CZ ' " H5'" ' A' ' 9' ' ' ' DT' . 0.0 OUTLIER -177.02 -175.42 0.59 Allowed 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 122.164 -0.335 . . . . 15.0 110.931 179.61 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.732 ' CB ' ' H2 ' ' B' ' 23' ' ' ' DA' . 0.0 OUTLIER -178.92 -41.25 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.684 0.624 . . . . 15.0 112.684 177.337 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.782 ' O ' H5'' ' B' ' 25' ' ' ' DG' . 7.1 ptm180 -148.55 141.21 24.5 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.142 0.496 . . . . 15.0 111.521 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 7.7 ptm180 155.94 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.883 -1.053 . . . . 15.0 108.898 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.484 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 8.2 t30 -67.61 -83.62 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.953 -1.021 . . . . 15.0 111.957 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.794 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.2 OUTLIER -69.26 114.41 7.49 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 122.084 -0.385 . . . . 15.0 110.422 -179.4 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -73.11 176.9 5.41 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -54.96 -20.98 10.27 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.695 0.258 . . . . 15.0 111.695 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.8 tp-100 -78.28 -48.31 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 15.0 110.59 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.596 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.07 -42.37 99.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.289 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 81.5 p -56.53 -55.29 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.865 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.6 pt-20 -56.47 -43.13 79.28 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.356 0.598 . . . . 15.0 110.644 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.406 HG23 ' HE3' ' P' ' 37' ' ' LYS . 53.5 mt -60.95 -59.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 15.0 111.808 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 57.7 mt -58.66 -46.76 86.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.358 -0.383 . . . . 15.0 110.592 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.54 ' HB3' ' HE2' ' P' ' 21' ' ' TYR . 50.9 m-20 -50.62 -63.24 1.19 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.668 0.27 . . . . 15.0 111.569 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -41.1 -50.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.18 -0.463 . . . . 15.0 111.498 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.661 ' CD2' HD11 ' P' ' 34' ' ' LEU . 2.0 t80 -65.19 -43.44 91.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 15.0 111.037 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.824 ' CE1' HD21 ' P' ' 23' A LEU . 0.7 OUTLIER -53.5 -52.72 58.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 15.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.54 ' HE2' ' HB3' ' P' ' 17' ' ' ASN . 59.2 m-85 -59.35 6.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.618 0.599 . . . . 15.0 112.618 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.512 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.9 m -109.22 -22.56 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 15.0 110.513 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.497 ' O ' ' C ' ' P' ' 23' C ASN . 54.7 m170 -124.63 35.65 4.76 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.68 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.824 HD21 ' CE1' ' P' ' 20' ' ' PHE . 8.7 mt -45.81 -55.78 6.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.807 0.337 . . . . 15.0 111.121 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -56.64 -15.52 4.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 120.888 -0.325 . . . . 15.0 111.121 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.685 ' HB2' ' CE1' ' P' ' 25' ' ' TYR . 15.8 p30 -156.04 70.2 5.11 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 108.388 -0.968 . . . . 15.0 108.388 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' P' ' 23' A LEU . 9.7 Cg_exo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.868 3.045 . . . . 15.0 115.509 -176.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.685 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.0 OUTLIER -126.66 119.66 22.9 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 109.787 -0.449 . . . . 15.0 109.787 177.147 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.756 ' HG3' HG12 ' P' ' 45' ' ' VAL . 7.6 Cg_endo -48.8 -154.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.286 2.657 . . . . 15.0 113.169 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.974 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 47.1 t -155.32 172.2 18.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.448 -1.686 . . . . 15.0 106.448 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -49.09 -53.46 20.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 118.483 0.583 . . . . 15.0 110.959 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -68.8 -33.64 74.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.75 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.974 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.6 -55.81 20.82 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.691 -0.232 . . . . 15.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.626 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.73 -24.67 64.2 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 119.998 -0.681 . . . . 15.0 110.257 178.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.7 mt-10 -75.76 -60.74 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.99 178.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -58.87 -48.54 81.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 15.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.661 HD11 ' CD2' ' P' ' 19' ' ' TYR . 95.9 mt -56.15 -59.82 4.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.966 0.412 . . . . 15.0 110.693 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.421 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.61 -30.08 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.913 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.2 OUTLIER -76.32 -46.73 26.35 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.962 0.887 . . . . 15.0 109.628 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' P' ' 15' ' ' ILE . 23.7 mtpp -67.71 -45.4 75.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.918 -1.492 . . . . 15.0 111.881 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.596 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 58.1 m -74.15 -50.2 20.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.812 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.42 17.46 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.226 -0.749 . . . . 15.0 111.226 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.794 HG21 ' CD2' ' P' ' 8' ' ' PHE . 12.9 pt -107.28 -163.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.174 -0.513 . . . . 15.0 109.637 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.506 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.7 t -121.43 145.3 48.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.469 -0.937 . . . . 15.0 108.469 177.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.626 HG13 ' HG3' ' P' ' 31' ' ' LYS . 6.9 t -27.08 -75.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 123.295 0.372 . . . . 15.0 111.518 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.538 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.0 m -42.31 -31.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.398 0.888 . . . . 15.0 113.398 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.506 ' OE1' HG22 ' P' ' 41' ' ' THR . 85.5 mt-30 -66.71 -33.61 76.02 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.482 -0.487 . . . . 15.0 110.47 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.756 HG12 ' HG3' ' P' ' 26' ' ' PRO . 57.8 t -63.89 -59.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.238 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 55.2 m -51.88 -29.44 19.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.406 0.622 . . . . 15.0 109.816 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.73 -51.64 15.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.025 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.624 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 74.6 t90 -57.71 -59.97 4.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.81 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.609 ' CD2' ' HD3' ' P' ' 26' ' ' PRO . 7.6 m-85 -47.91 -57.12 6.11 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.491 ' HA2' ' NH1' ' P' ' 53' ' ' ARG . . . -33.04 -67.99 0.18 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 116.01 -0.541 . . . . 15.0 113.992 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.518 ' ND2' " H2'" ' A' ' 7' ' ' ' DG' . 6.8 p-10 -59.22 -40.14 84.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.434 0.531 . . . . 15.0 112.434 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.624 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 4.7 mmmp? -44.95 -55.07 5.82 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.442 0.534 . . . . 15.0 112.442 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.724 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 19.0 ptt-85 -58.08 -45.54 86.99 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.983 HG22 ' HE3' ' P' ' 58' ' ' LYS . 14.3 mm -54.77 -51.24 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.461 -0.94 . . . . 15.0 108.461 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 2.5 tpm_? -51.03 -39.91 56.99 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.418 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.724 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 3.7 t80 -50.78 -59.61 3.92 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.863 -0.608 . . . . 15.0 111.098 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 53.5 mttt -50.77 -19.32 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.987 1.106 . . . . 15.0 113.987 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.983 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -71.92 -38.03 69.95 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.421 -0.585 . . . . 15.0 109.421 179.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' P' ' 58' ' ' LYS . 2.7 m120 -139.94 45.05 1.9 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.877 0.695 . . . . 15.0 112.877 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 51.0 mm -13.88 -69.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 115.129 1.529 . . . . 15.0 115.129 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.8 -25.43 56.01 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 116.118 -0.492 . . . . 15.0 114.252 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' P' ' 59' ' ' ASN . 87.2 tttt -66.01 -41.3 91.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.096 0.474 . . . . 15.0 110.226 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.696 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 27.7 m-85 -79.02 -27.62 43.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 15.0 111.887 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -52.25 -62.14 1.82 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.172 -0.677 . . . . 15.0 109.172 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.495 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.0 tt0 -53.25 -47.62 68.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.546 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' P' ' 69' ' ' ILE . 52.0 mm-40 -54.4 -54.86 34.95 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.24 -0.652 . . . . 15.0 109.24 178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.11 -41.48 3.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.047 -0.979 . . . . 15.0 110.517 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -74.43 -34.63 63.27 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.402 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.495 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.8 mt -64.82 -52.43 54.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.781 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.475 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 17.4 m-85 -66.1 -25.92 67.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.071 0.462 . . . . 15.0 110.624 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.42 -57.23 13.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.972 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.68 -7.71 41.49 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.669 0.618 . . . . 15.0 112.669 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.593 ' O ' HG22 ' P' ' 74' ' ' THR . 9.6 mtpm? -68.59 -172.76 0.38 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.911 -0.316 . . . . 15.0 110.808 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.593 HG22 ' O ' ' P' ' 73' ' ' LYS . 8.8 t 53.68 120.39 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.238 0.542 . . . . 15.0 111.369 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 76.9 5.51 3.33 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.822 -0.626 . . . . 15.0 111.353 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 10.6 p -86.03 139.42 17.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.816 0.341 . . . . 15.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -145.62 152.25 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 15.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.238 -0.887 . . . . 15.0 111.05 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.61 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.02 0 C4'-C3'-C2' 104.849 1.649 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.849 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.883 1.62 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.849 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 101.521 -0.842 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.629 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C1'-O4'-C4' 110.297 0.426 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.629 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 103.898 0.698 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C4'-C3'-C2' 102.247 -0.953 . . . . 15.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.778 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 105.043 1.674 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.778 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.545 0 O4'-C1'-C2' 106.964 0.786 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.745 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.872 0 C3'-C2'-C1' 99.437 -2.331 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.745 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.719 0 O4'-C1'-C2' 107.638 1.398 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.529 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.497 1.27 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.529 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C1'-O4'-C4' 110.337 0.455 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.509 " H1'" ' C6 ' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C5'-C4'-O4' 108.692 -0.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.509 ' C6 ' " H1'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.794 0 C4'-C3'-C2' 104.756 1.556 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.56 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O5'-C5'-C4' 110.921 0.515 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.6 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 102.033 -0.477 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.6 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C3'-C2'-C1' 104.756 1.469 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.731 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C4'-C3'-C2' 101.61 -1.59 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.731 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 101.813 -0.633 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.914 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 C3'-C2'-C1' 99.276 -2.445 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.914 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -1.05 0 C4'-C3'-C2' 100.423 -2.777 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.713 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.573 0 O4'-C1'-C2' 108.041 1.765 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.713 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.03 0 C1'-O4'-C4' 107.263 -1.741 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.767 " C5'" ' HB1' ' P' ' 1' ' ' ALA . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C3'-C2'-C1' 100.387 -1.652 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.703 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.52 -0.812 0 O4'-C4'-C3' 103.535 -2.065 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.703 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.439 0.579 0 C3'-C2'-C1' 105.107 1.719 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.642 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C4'-C3' 106.285 0.685 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.532 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-N19 108.237 0.547 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 55.1 ttp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.9 0.381 . . . . 15.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.767 ' HB1' " C5'" ' B' ' 24' ' ' ' DT' . . . -72.8 163.01 28.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.258 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.594 ' N ' H5'' ' B' ' 24' ' ' ' DT' . 28.6 mtp180 -52.47 -96.55 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.441 -0.345 . . . . 15.0 111.648 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.543 ' HG3' " O5'" ' A' ' 9' ' ' ' DT' . 0.0 OUTLIER -177.61 155.76 1.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.245 0.831 . . . . 15.0 113.245 -178.577 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.746 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER 179.49 -36.94 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 112.676 0.621 . . . . 15.0 112.676 175.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.746 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 0.5 OUTLIER -153.31 -161.23 1.24 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.909 -178.429 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.435 ' NH1' ' OP1' ' B' ' 25' ' ' ' DG' . 54.9 mtp180 79.36 -36.3 0.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 -178.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.605 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 65.1 t30 -55.78 -101.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.818 -1.083 . . . . 15.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.742 ' CD2' HG21 ' P' ' 40' ' ' ILE . 28.9 m-85 -65.86 110.81 3.0 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.027 0.831 . . . . 15.0 109.993 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . 0.415 ' HA ' HD22 ' P' ' 9' ' ' ASN . 0.8 OUTLIER -67.82 172.6 5.19 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.77 -0.455 . . . . 15.0 109.77 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' P' ' 11' ' ' GLN . 0.1 OUTLIER -58.1 -15.15 8.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 111.79 0.293 . . . . 15.0 111.79 -179.357 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -79.39 -46.66 17.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.238 0.542 . . . . 15.0 109.883 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.6 -42.35 98.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.675 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.9 p -56.53 -55.13 37.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 15.0 111.581 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.5 pt-20 -55.97 -41.26 74.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.256 0.55 . . . . 15.0 110.717 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' P' ' 38' ' ' SER . 59.4 mt -64.77 -58.31 7.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.053 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.64 HD22 ' HE1' ' P' ' 49' ' ' PHE . 58.5 mt -60.68 -45.81 92.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 15.0 111.115 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' P' ' 13' ' ' THR . 72.5 m-20 -51.33 -59.92 3.7 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 15.0 110.855 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' P' ' 14' ' ' GLU . 96.9 mt-10 -44.53 -45.5 9.36 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.555 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.56 ' HD2' HD11 ' P' ' 34' ' ' LEU . 10.0 t80 -75.91 -36.22 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.742 0.306 . . . . 15.0 110.611 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.603 ' CZ ' ' CD2' ' P' ' 23' A LEU . 22.5 t80 -53.3 -50.49 64.79 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.912 0.386 . . . . 15.0 110.768 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.5 m-85 -59.9 11.39 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.604 0.594 . . . . 15.0 112.604 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.553 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.4 t -116.28 -19.32 10.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 15.0 110.282 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.444 ' HB3' ' OD1' ' P' ' 23' C ASN . 50.6 m170 -125.94 33.18 5.11 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.18 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.642 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.0 mt -43.75 -64.79 0.59 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 53.3 m -58.22 -3.1 0.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.398 0.518 . . . . 15.0 112.398 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.65 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 6.1 p30 -153.97 72.42 6.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.654 ' HG3' ' HD2' ' P' ' 53' ' ' ARG . 58.9 Cg_endo -69.47 70.52 1.42 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.847 2.365 . . . . 15.0 113.541 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.65 ' CZ ' ' HB2' ' P' ' 23' C ASN . 11.0 p90 -153.56 120.44 2.93 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.761 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.611 ' HG3' HG12 ' P' ' 45' ' ' VAL . 17.8 Cg_endo -54.81 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 123.213 2.609 . . . . 15.0 112.291 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 1.042 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 46.1 t -149.15 169.23 21.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 105.596 -2.002 . . . . 15.0 105.596 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 95.1 mt-10 -49.31 -53.89 19.76 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 119.238 0.926 . . . . 15.0 110.561 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.44 -34.58 76.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.504 -0.316 . . . . 15.0 110.519 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 1.042 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -62.24 -57.07 12.81 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 121.237 -0.185 . . . . 15.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.689 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.34 -24.38 59.61 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 120.215 -0.594 . . . . 15.0 110.361 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 49.3 mt-10 -75.94 -60.04 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 15.0 109.952 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.472 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.72 -50.19 74.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.506 -0.315 . . . . 15.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.565 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -53.75 -62.49 1.62 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.978 0.418 . . . . 15.0 110.687 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.442 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.16 -29.83 33.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.554 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.513 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.12 -43.15 44.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.992 0.901 . . . . 15.0 109.083 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.99 -48.53 62.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.76 -1.564 . . . . 15.0 111.723 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.574 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 2.0 p -74.33 -51.14 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.683 -0.69 . . . . 15.0 112.498 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.48 19.3 6.24 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.233 -0.747 . . . . 15.0 111.233 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.742 HG21 ' CD2' ' P' ' 8' ' ' PHE . 7.7 pt -104.08 -166.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.177 0.591 . . . . 15.0 109.417 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.507 ' O ' ' C ' ' P' ' 42' ' ' VAL . 8.7 t -117.34 137.87 52.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.689 HG13 ' HG3' ' P' ' 31' ' ' LYS . 3.9 t -25.16 -76.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.983 0.421 . . . . 15.0 111.48 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.585 ' N ' HG12 ' P' ' 42' ' ' VAL . 53.5 m -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.953 0.723 . . . . 15.0 112.953 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.616 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 25.2 tp60 -65.94 -38.3 88.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.734 HG22 HD11 ' P' ' 40' ' ' ILE . 62.9 t -59.24 -58.52 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . 0.429 ' HA ' ' HD2' ' P' ' 26' ' ' PRO . 47.5 t -51.1 -28.98 11.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.378 0.609 . . . . 15.0 110.306 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -74.04 -49.45 24.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.114 -0.948 . . . . 15.0 108.638 177.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.657 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 52.8 t90 -58.1 -59.68 4.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.869 -1.059 . . . . 15.0 111.71 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.64 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.3 m-85 -47.92 -59.13 3.57 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.343 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.8 -48.22 24.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.24 -0.981 . . . . 15.0 111.961 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.543 ' HA ' HG12 ' P' ' 54' ' ' ILE . 25.8 t-20 -66.19 -30.04 70.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 15.0 110.654 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 50.7 tptt -60.53 -35.6 76.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.654 ' HD2' ' HG3' ' P' ' 24' ' ' PRO . 9.8 ptm180 -72.86 -34.57 66.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.93 HG22 ' HE3' ' P' ' 58' ' ' LYS . 9.6 mm -55.25 -55.56 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.828 -1.175 . . . . 15.0 107.828 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.472 ' CZ ' ' OP2' ' A' ' 7' ' ' ' DG' . 37.7 ttm180 -49.35 -43.62 43.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.272 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.633 ' HA ' ' CD1' ' P' ' 63' ' ' PHE . 1.7 t80 -54.89 -59.78 4.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.588 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' P' ' 53' ' ' ARG . 0.0 OUTLIER -44.96 -17.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.014 1.116 . . . . 15.0 114.014 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.93 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -79.76 -36.3 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.624 0.249 . . . . 15.0 111.616 -178.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' P' ' 60' ' ' ILE . 50.9 m-20 -143.15 45.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 15.0 113.548 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.563 HD12 ' CZ ' ' P' ' 56' ' ' TYR . 35.9 mm -13.9 -71.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.966 1.469 . . . . 15.0 114.966 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.43 -22.83 16.98 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.149 -0.478 . . . . 15.0 114.138 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' P' ' 66' ' ' GLU . 61.5 tttm -75.77 -37.34 59.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.305 0.574 . . . . 15.0 109.845 179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.633 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 84.4 m-85 -80.41 -28.61 37.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.352 -0.84 . . . . 15.0 111.497 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.481 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 84.4 mt-30 -57.08 -63.66 1.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.48 -0.563 . . . . 15.0 109.48 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.4 ' O ' HG13 ' P' ' 69' ' ' ILE . 89.1 tt0 -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.569 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 50.1 mt-10 -60.5 -49.87 75.82 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.655 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.73 -40.98 4.59 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.85 -1.068 . . . . 15.0 110.554 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.39 -36.91 63.54 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.059 0.457 . . . . 15.0 110.368 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.4 HG13 ' O ' ' P' ' 65' ' ' GLU . 85.3 mt -61.76 -62.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.168 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.486 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.2 m-85 -66.4 -31.78 72.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.483 -0.78 . . . . 15.0 111.809 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.2 -55.61 31.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 15.0 111.476 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.79 67.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 15.0 111.917 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.472 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 0.3 OUTLIER -68.92 72.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.027 0.441 . . . . 15.0 111.194 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.401 HG23 ' O ' ' P' ' 71' ' ' ALA . 70.3 p -89.44 -7.2 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.306 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' P' ' 76' ' ' VAL . . . -78.99 -75.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.762 0.315 . . . . 15.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.55 HG22 ' O ' ' P' ' 76' ' ' VAL . 7.6 p 44.02 61.53 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.64 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 74.7 p -93.3 -66.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.253 -0.879 . . . . 15.0 111.116 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.588 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -0.966 0 C4'-C3'-C2' 104.894 1.694 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.826 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.928 1.662 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.826 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 101.419 -0.915 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.668 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 C1'-O4'-C4' 110.335 0.454 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.668 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 104.037 0.837 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.541 ' O2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 100.557 -1.531 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 1.013 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.493 1.266 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 1.013 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 P--O3' 1.614 0.619 0 O3'-P-O5' 105.96 1.032 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.974 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.875 0 C3'-C2'-C1' 99.236 -2.474 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.974 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.735 0 C3'-C2'-C1' 104.703 1.431 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.61 " O4'" " H5'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 104.869 1.549 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.61 " H5'" " O4'" ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.503 0.573 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.63 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-C1' 104.793 1.495 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.63 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C4'-C3' 106.245 0.645 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.525 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 C3'-C2'-C1' 101.955 -0.532 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.525 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.248 0.391 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.682 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.336 1.124 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 1.028 " H1'" " O4'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 N19-C1'-C2' 116.182 1.239 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 1.028 " O4'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 101.42 -1.78 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.997 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 100.024 -1.912 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.997 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.532 0.821 0 C4'-C3'-C2' 101.463 -1.737 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.696 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 107.985 1.713 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.754 ' C8 ' ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 O4'-C1'-C2' 104.49 -1.463 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 1.05 ' O2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 O4'-C1'-N19 109.041 1.551 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.745 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C4'-C3' 103.891 -1.709 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.745 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.439 0.614 0 C3'-C2'-C1' 104.817 1.512 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.695 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C4'-C3' 106.196 0.596 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.513 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C4'-C3' 106.178 0.578 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . 0.465 ' HG2' ' N ' ' P' ' 1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 120.528 0.204 . . . . 15.0 111.356 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.707 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . -167.28 108.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.105 0.478 . . . . 15.0 111.307 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.599 ' HB3' ' HD2' ' P' ' 3' ' ' ARG . 56.9 mtt85 -54.56 -70.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.051 0.76 . . . . 15.0 113.051 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.599 ' HD2' ' HB3' ' P' ' 2' ' ' ARG . 0.0 OUTLIER -176.44 157.71 1.71 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.593 0.59 . . . . 15.0 112.593 -177.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 1.05 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 3.4 tptp -171.09 -78.03 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 112.264 0.468 . . . . 15.0 112.264 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.714 ' N ' ' HG3' ' P' ' 4' ' ' LYS . 48.0 mtp180 -155.95 157.18 35.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.095 -176.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.561 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 19.8 ptt85 138.88 -30.1 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.117 0.967 . . . . 15.0 109.022 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.634 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 33.1 t30 -59.11 -97.03 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.767 -1.106 . . . . 15.0 111.805 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.856 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.3 m-85 -64.48 109.33 1.92 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.601 0.637 . . . . 15.0 111.008 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.02 174.56 4.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.703 -0.48 . . . . 15.0 109.703 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' P' ' 10' ' ' LYS . 8.1 mtpm? -55.7 -19.92 12.58 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.911 0.337 . . . . 15.0 111.911 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.643 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 68.4 tp60 -76.34 -47.37 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 15.0 110.446 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.637 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.26 -45.09 93.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.563 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 69.1 p -56.79 -54.49 45.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.479 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.6 pt-20 -53.31 -38.9 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.285 0.564 . . . . 15.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.502 HD11 HE21 ' P' ' 11' ' ' GLN . 58.9 mt -72.5 -54.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.226 -0.897 . . . . 15.0 112.954 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.638 HD22 ' HE1' ' P' ' 49' ' ' PHE . 81.4 mt -60.15 -44.95 94.56 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.68 0.622 . . . . 15.0 112.68 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.575 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 17.7 p30 -60.55 -50.99 71.33 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.285 -0.566 . . . . 15.0 110.671 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.575 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 62.8 mm-40 -43.7 -39.04 3.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.475 . . . . 15.0 110.864 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.715 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -83.22 -34.96 25.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.724 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.693 ' CZ ' ' CD2' ' P' ' 23' A LEU . 18.9 t80 -53.24 -53.49 49.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.98 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 63.7 m-85 -57.97 10.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.503 ' H ' ' C ' ' P' ' 20' ' ' PHE . 85.4 p -115.02 -18.38 11.24 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.22 -0.3 . . . . 15.0 110.779 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' P' ' 24' ' ' PRO . 62.8 m170 -129.5 31.72 4.75 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.095 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.693 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 13.9 mt -40.7 -62.28 0.82 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.087 0.403 . . . . 15.0 112.087 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.6 t -58.72 -9.96 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.493 0.553 . . . . 15.0 112.493 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.442 ' HB2' ' CE2' ' P' ' 25' ' ' TYR . 15.9 p-10 -173.03 70.52 0.39 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.688 0.28 . . . . 15.0 110.58 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' P' ' 23' A LEU . 61.8 Cg_endo -72.32 90.53 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.67 2.246 . . . . 15.0 111.899 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' P' ' 23' C ASN . 4.4 m-30 -123.37 89.29 51.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.838 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 81.1 Cg_endo -66.31 91.11 0.27 Allowed 'Trans proline' 0 CA--C 1.513 -0.56 0 C-N-CA 122.594 2.196 . . . . 15.0 111.172 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.48 ' O ' ' O ' ' P' ' 26' ' ' PRO . 47.0 t -37.73 167.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.907 0.754 . . . . 15.0 111.499 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.3 mt-10 -44.73 -46.26 10.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.542 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.63 -32.56 68.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.557 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.769 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -65.53 -56.95 9.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.487 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.993 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.98 -23.39 65.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.025 0.44 . . . . 15.0 110.065 178.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.521 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 83.9 mt-10 -75.7 -59.8 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.693 . . . . 15.0 109.139 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.8 pt-20 -58.66 -47.97 82.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.786 HD12 HG11 ' P' ' 45' ' ' VAL . 91.6 mt -53.46 -60.45 3.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.999 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.91 -30.78 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 15.0 112.207 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.76 -46.68 29.48 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.963 0.887 . . . . 15.0 109.266 179.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.442 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.6 mtpp -67.66 -46.07 73.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.452 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.637 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 64.4 m -73.92 -53.17 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.24 -0.891 . . . . 15.0 112.297 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.35 17.9 6.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.896 -0.669 . . . . 15.0 111.525 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.856 HG21 ' CD2' ' P' ' 8' ' ' PHE . 8.1 pt -104.88 -165.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.3 t -116.67 137.21 52.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.522 -0.918 . . . . 15.0 108.522 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.993 HG13 ' HG3' ' P' ' 31' ' ' LYS . 21.8 t -21.86 -78.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 120.968 0.413 . . . . 15.0 111.877 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.535 ' N ' HG12 ' P' ' 42' ' ' VAL . 41.8 m -42.74 -28.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.493 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' P' ' 41' ' ' THR . 53.9 tp60 -66.37 -38.22 87.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.171 0.51 . . . . 15.0 109.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.833 HG22 HD11 ' P' ' 40' ' ' ILE . 78.2 t -60.48 -57.02 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.68 . . . . 15.0 110.634 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -53.71 -25.28 17.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.267 0.556 . . . . 15.0 110.341 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.94 -50.2 21.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.249 -0.887 . . . . 15.0 108.977 178.129 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.519 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 51.0 t90 -57.87 -60.3 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 15.0 111.507 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.638 ' HE1' HD22 ' P' ' 16' ' ' LEU . 8.3 m-85 -48.18 -59.06 3.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.462 -0.79 . . . . 15.0 112.143 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.654 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -43.3 -48.34 6.81 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.714 -0.755 . . . . 15.0 112.682 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.48 ' HA ' HG12 ' P' ' 54' ' ' ILE . 22.6 t-20 -75.47 -28.17 59.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.587 0.232 . . . . 15.0 111.53 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 21.2 tptm -60.24 -39.86 88.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.866 0.321 . . . . 15.0 111.866 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.9 ptm180 -71.17 -36.18 71.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.571 -0.9 . . . . 15.0 108.571 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.981 HG22 ' HE3' ' P' ' 58' ' ' LYS . 27.5 mm -53.89 -55.0 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.519 -0.764 . . . . 15.0 109.35 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 71.1 mtp180 -49.58 -42.06 43.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.708 0.289 . . . . 15.0 110.983 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.764 ' HA ' ' CD1' ' P' ' 63' ' ' PHE . 3.3 t80 -47.68 -59.97 2.9 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.165 0.507 . . . . 15.0 110.981 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.548 ' HA ' HD11 ' P' ' 60' ' ' ILE . 0.0 OUTLIER -46.29 -19.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.427 0.899 . . . . 15.0 113.427 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.981 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.6 OUTLIER -83.79 -39.09 20.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' P' ' 60' ' ' ILE . 60.0 m-20 -133.86 40.01 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.625 0.602 . . . . 15.0 112.625 -178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' P' ' 57' ' ' LYS . 36.7 mm -13.69 -71.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 114.547 1.314 . . . . 15.0 114.547 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.11 -25.82 40.36 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.025 -0.534 . . . . 15.0 114.138 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -70.46 -39.33 74.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.183 0.516 . . . . 15.0 110.106 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.764 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 96.1 m-85 -76.14 -30.81 58.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 15.0 111.762 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.494 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 82.9 mt-30 -55.2 -62.09 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.874 -0.417 . . . . 15.0 109.874 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -51.24 -46.61 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.46 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' P' ' 69' ' ' ILE . 96.8 mt-10 -56.47 -51.76 67.24 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 108.796 -0.816 . . . . 15.0 108.796 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.81 -44.8 7.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.331 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -69.83 -34.51 73.76 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.168 -0.469 . . . . 15.0 109.977 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' P' ' 66' ' ' GLU . 78.6 mt -66.63 -54.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.877 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.557 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 77.3 m-85 -66.33 -9.37 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.678 -0.692 . . . . 15.0 111.785 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.25 -57.15 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 15.0 110.861 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.57 -24.93 64.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.886 0.699 . . . . 15.0 112.886 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.557 ' CD ' ' HA ' ' P' ' 70' ' ' TYR . 0.1 OUTLIER -68.89 -142.5 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 121.026 -0.27 . . . . 15.0 111.35 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' P' ' 75' ' ' ALA . 69.9 p 60.23 157.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.934 0.397 . . . . 15.0 110.833 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 75.08 6.54 4.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.98 -0.555 . . . . 15.0 111.317 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.494 HG22 ' N ' ' P' ' 77' ' ' THR . 9.2 p -86.26 159.62 3.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.854 0.359 . . . . 15.0 111.087 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . 0.494 ' N ' HG22 ' P' ' 76' ' ' VAL . 87.8 m -144.98 115.09 7.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.816 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.207 -0.901 . . . . 15.0 111.1 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.587 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.817 0 C4'-C3'-C2' 104.892 1.692 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.759 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.862 1.601 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.759 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 101.69 -0.721 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.557 ' C5 ' H2'' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 101.879 -0.586 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.548 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 103.974 0.774 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.634 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 100.722 -1.413 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.937 " H2'" ' OD1' ' P' ' 51' ' ' ASN . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C3'-C2'-C1' 104.153 1.038 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.808 " H2'" ' H72' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.472 1.247 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.808 ' H72' " H2'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.716 0 C3'-C2'-C1' 99.886 -2.01 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.717 ' H72' " C2'" ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.713 0 C3'-C2'-C1' 104.808 1.506 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.499 " H5'" H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 107.516 1.287 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.454 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 103.773 0.573 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.649 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.601 1.364 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.649 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C5'-C4'-O4' 108.691 -0.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.54 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.599 0 O5'-C5'-C4' 110.889 0.492 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.54 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 101.918 -0.558 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.493 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 107.129 0.935 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.972 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C2'-C3'-O3' 113.395 1.035 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.972 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 101.795 -0.646 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 1.006 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 100.822 -2.378 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 1.006 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.516 -1.21 0 C4'-C3'-C2' 100.38 -2.82 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.791 H2'' " O5'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.439 0.632 0 O4'-C1'-C2' 107.901 1.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.791 " O5'" H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-N19 108.652 1.065 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.899 H5'' ' HB3' ' P' ' 1' ' ' ALA . . . . . . . . 0 C4'--C3' 1.536 0.793 0 O4'-C1'-N19 109.05 1.563 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.844 " C5'" " H1'" ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.773 0 O4'-C4'-C3' 103.553 -2.047 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.639 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.644 0 C3'-C2'-C1' 105.344 1.889 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.648 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C4'-C3'-C2' 104.182 0.982 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.504 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C3'-C2'-C1' 102.077 -0.445 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 55.3 ttp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 15.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.899 ' HB3' H5'' ' B' ' 24' ' ' ' DT' . . . -167.26 -162.03 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.572 ' HB2' ' OP2' ' B' ' 24' ' ' ' DT' . 61.4 mtt85 -45.71 -87.62 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' P' ' 3' ' ' ARG . 0.0 OUTLIER -176.98 159.32 1.68 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.322 0.49 . . . . 15.0 112.322 -178.333 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.846 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -179.31 -67.87 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 120.465 -0.494 . . . . 15.0 111.698 176.7 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.613 ' CG ' ' HD2' ' P' ' 4' ' ' LYS . 11.5 ptm180 -164.35 143.44 7.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.193 0.521 . . . . 15.0 111.573 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 1.8 ptm85 157.18 -28.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.729 -1.123 . . . . 15.0 108.614 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.447 ' ND2' ' CZ ' ' P' ' 8' ' ' PHE . 6.3 t30 -60.1 -89.66 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.692 -1.14 . . . . 15.0 111.554 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.786 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.3 OUTLIER -61.2 102.67 0.23 Allowed 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.346 0.593 . . . . 15.0 111.053 -179.156 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -65.02 173.32 2.43 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.133 -0.939 . . . . 15.0 110.127 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -55.01 -16.98 3.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.647 0.26 . . . . 15.0 111.545 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.4 tp-100 -79.21 -46.95 16.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.007 0.432 . . . . 15.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.582 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.09 -43.52 98.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.855 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 68.8 p -56.98 -56.1 26.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.074 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 14.2 pt-20 -52.7 -38.05 60.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.315 0.579 . . . . 15.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.516 HG23 ' HE2' ' P' ' 37' ' ' LYS . 65.0 mt -71.27 -56.06 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.271 -0.877 . . . . 15.0 113.239 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.624 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.3 mt -60.45 -43.75 96.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.158 0.799 . . . . 15.0 113.158 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.478 HD21 ' HA ' ' P' ' 14' ' ' GLU . 19.6 p30 -60.46 -52.83 63.52 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.265 -0.574 . . . . 15.0 111.028 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.525 ' OE2' HG11 ' P' ' 76' ' ' VAL . 50.1 mt-10 -45.97 -37.53 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.672 0.272 . . . . 15.0 111.362 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.758 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.8 t80 -81.91 -40.37 22.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.929 0.395 . . . . 15.0 110.636 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.763 ' CE1' HD21 ' P' ' 23' A LEU . 0.3 OUTLIER -49.16 -48.23 45.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.504 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 68.5 m-85 -61.39 4.98 0.08 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.3 0.481 . . . . 15.0 112.3 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.442 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.5 t -108.37 -25.97 10.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.556 0.217 . . . . 15.0 111.059 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.435 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 53.8 m170 -124.67 38.98 4.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.521 -0.309 . . . . 15.0 111.461 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.763 HD21 ' CE1' ' P' ' 20' ' ' PHE . 6.7 mt -46.45 -62.0 1.56 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.828 0.347 . . . . 15.0 111.121 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 23' B SER . . . . . 0.517 ' O ' ' ND2' ' P' ' 23' C ASN . 80.3 p -59.91 -8.79 2.42 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.912 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.517 ' ND2' ' O ' ' P' ' 23' B SER . 8.0 m120 -141.41 69.06 26.58 Favored Pre-proline 0 N--CA 1.462 0.151 0 CA-C-O 121.026 0.441 . . . . 15.0 110.092 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' P' ' 23' A LEU . 48.8 Cg_endo -66.91 61.53 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.03 2.487 . . . . 15.0 113.222 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' P' ' 23' C ASN . 4.5 p90 -154.01 97.02 2.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 121.087 0.47 . . . . 15.0 110.197 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.755 ' HG3' HG12 ' P' ' 45' ' ' VAL . 87.7 Cg_endo -69.56 113.01 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.531 2.821 . . . . 15.0 112.934 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.408 ' O ' ' O ' ' P' ' 26' ' ' PRO . 51.1 m -36.19 159.75 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.258 -0.883 . . . . 15.0 111.256 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.468 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 94.6 mt-10 -46.26 -42.93 15.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.752 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.59 -24.07 56.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.849 0.357 . . . . 15.0 110.855 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.758 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -69.71 -54.28 14.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.982 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.981 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -62.3 -21.36 65.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.325 178.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 41.1 mt-10 -75.48 -59.78 2.6 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.56 -45.36 89.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.758 HD12 HG11 ' P' ' 45' ' ' VAL . 96.2 mt -56.64 -60.7 3.17 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.31 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.77 59.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 15.0 111.988 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.42 -46.77 30.74 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.991 0.901 . . . . 15.0 108.714 179.217 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.516 ' HE2' HG23 ' P' ' 15' ' ' ILE . 52.2 mtpt -65.63 -48.97 70.4 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.905 -1.498 . . . . 15.0 110.701 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.582 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 39.3 m -74.46 -52.04 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.975 -1.012 . . . . 15.0 111.66 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.6 23.89 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.866 -0.683 . . . . 15.0 111.872 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.875 HD11 HG22 ' P' ' 45' ' ' VAL . 3.8 pt -101.75 -168.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 122.293 0.237 . . . . 15.0 110.826 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.498 HG23 ' HB2' ' P' ' 44' ' ' GLN . 4.9 t -109.87 90.1 3.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.633 0.254 . . . . 15.0 110.634 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.981 HG13 ' HG3' ' P' ' 31' ' ' LYS . 14.4 t 17.43 -83.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 124.205 0.94 . . . . 15.0 112.142 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.646 ' N ' HG12 ' P' ' 42' ' ' VAL . 38.0 m -44.62 -24.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.524 ' HG3' ' CE2' ' P' ' 8' ' ' PHE . 48.1 tp60 -67.01 -37.52 84.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.945 -0.761 . . . . 15.0 108.945 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.875 HG22 HD11 ' P' ' 40' ' ' ILE . 89.3 t -56.33 -54.72 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.18 -0.918 . . . . 15.0 109.699 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.6 t -56.04 -27.98 55.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.345 0.593 . . . . 15.0 110.27 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.58 -52.04 14.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.167 -0.924 . . . . 15.0 109.616 178.776 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.554 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 82.0 t90 -56.89 -54.41 46.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.359 -0.837 . . . . 15.0 110.649 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.624 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -48.36 -54.19 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.393 -0.821 . . . . 15.0 110.87 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.649 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.56 -32.58 5.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.851 -0.69 . . . . 15.0 112.95 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.937 ' OD1' " H2'" ' A' ' 7' ' ' ' DG' . 1.1 t-20 -73.72 -54.18 8.67 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.771 0.32 . . . . 15.0 111.845 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.54 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 29.6 mmmt -38.81 -45.45 1.15 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.597 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.575 ' C ' ' H ' ' P' ' 55' ' ' ARG . 2.4 ptm85 -64.53 -47.36 79.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.649 HG12 ' O ' ' P' ' 50' ' ' GLY . 19.1 mm -60.42 6.03 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.128 0.49 . . . . 15.0 111.133 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.575 ' H ' ' C ' ' P' ' 53' ' ' ARG . 19.0 tpp180 -123.4 -24.61 4.58 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.766 -0.827 . . . . 15.0 108.766 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.66 ' CE2' HD12 ' P' ' 60' ' ' ILE . 47.8 t80 -61.53 -68.57 0.3 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.323 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.879 ' HA ' HD11 ' P' ' 60' ' ' ILE . 20.4 mtmt -49.36 -22.12 1.04 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.353 -0.84 . . . . 15.0 112.623 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.615 ' N ' ' HD2' ' P' ' 58' ' ' LYS . 0.7 OUTLIER -71.73 -37.67 70.55 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.449 -0.796 . . . . 15.0 108.912 178.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.2 m-20 -139.32 31.92 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.433 0.901 . . . . 15.0 113.433 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.879 HD11 ' HA ' ' P' ' 57' ' ' LYS . 42.2 mm -14.2 -67.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 114.842 1.423 . . . . 15.0 114.842 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.81 -28.62 31.72 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.355 -0.45 . . . . 15.0 113.399 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' P' ' 59' ' ' ASN . 2.6 tmmm? -67.8 -40.71 83.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.571 -0.529 . . . . 15.0 109.571 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.601 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 42.5 m-85 -77.49 -28.78 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.583 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -50.98 -65.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.406 ' O ' HG13 ' P' ' 69' ' ' ILE . 38.8 tt0 -52.64 -45.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.853 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' P' ' 69' ' ' ILE . 97.6 mt-10 -57.39 -52.43 65.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.345 0.593 . . . . 15.0 109.465 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.648 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.16 -39.41 2.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.664 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -72.89 -35.84 67.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.43 . . . . 15.0 110.27 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' P' ' 66' ' ' GLU . 69.3 mt -66.17 -54.3 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.165 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.461 ' HA ' ' HG2' ' P' ' 73' ' ' LYS . 15.8 m-85 -70.36 -27.67 64.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.12 -57.02 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.343 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.33 -48.68 68.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 15.0 111.675 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.48 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 0.4 OUTLIER -69.02 127.08 31.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.366 -0.379 . . . . 15.0 111.158 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.444 ' O ' ' HB3' ' P' ' 75' ' ' ALA . 72.6 p -151.38 166.2 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.887 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 70.53 14.81 7.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.797 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.525 HG11 ' OE2' ' P' ' 18' ' ' GLU . 12.0 p -85.54 125.44 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 15.0 111.051 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 89.8 m -146.22 -46.77 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 15.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.177 -0.916 . . . . 15.0 111.088 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.595 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.926 0 C4'-C3'-C2' 104.902 1.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.711 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-C2' 107.848 1.589 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.711 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 101.627 -0.766 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.545 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C1'-O4'-C4' 110.377 0.484 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.545 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C1'-O4'-C4' 108.141 -1.114 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.538 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 100.069 -1.879 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.976 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C3'-C2'-C1' 105.766 2.19 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.976 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.315 1.105 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.83 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.939 0 C3'-C2'-C1' 99.595 -2.218 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.83 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 C3'-C2'-C1' 104.815 1.511 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.574 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.772 0.766 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.433 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-C2' 106.986 0.805 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.66 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 107.711 1.464 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.66 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 P-O3'-C3' 120.424 0.603 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.438 ' N3 ' " O4'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O5'-C5'-C4' 110.864 0.474 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.508 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 102.053 -0.462 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.508 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C1'-C2' 107.385 1.168 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.92 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C2'-C3'-O3' 113.385 1.031 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.92 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 P-O3'-C3' 120.514 0.678 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.964 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C3'-C2'-C1' 99.617 -2.202 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.964 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.534 0.929 0 C2'-C3'-O3' 114.705 1.52 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.807 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.437 -0.778 0 O4'-C1'-C2' 108.426 2.114 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.794 " C2'" ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 C1'-O4'-C4' 107.34 -1.685 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.97 ' C2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.898 0 C3'-C2'-C1' 100.485 -1.582 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.745 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C4'-C3' 104.449 -1.151 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.745 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.438 0.569 0 C3'-C2'-C1' 105.015 1.653 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.661 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C4'-C3' 106.311 0.711 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.54 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C3'-C2'-C1' 102.059 -0.458 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . 0.533 ' CE ' ' HA ' ' P' ' 0' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.726 0.298 . . . . 15.0 110.815 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . -71.6 -151.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 15.0 111.208 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.587 ' HG2' " H5'" ' B' ' 23' ' ' ' DA' . 31.9 mmm-85 -49.77 -99.03 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 111.584 0.216 . . . . 15.0 111.584 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.602 ' HD2' ' O ' ' P' ' 3' ' ' ARG . 0.0 OUTLIER -176.87 175.62 1.58 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 122.333 -0.229 . . . . 15.0 110.92 -179.099 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.97 ' HG2' ' C2 ' ' B' ' 24' ' ' ' DT' . 0.7 OUTLIER -178.19 -76.13 0.01 OUTLIER 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 112.739 0.644 . . . . 15.0 112.739 177.103 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.554 ' HB3' ' HD2' ' P' ' 4' ' ' LYS . 15.7 ptm180 -148.94 155.91 41.52 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.637 0.606 . . . . 15.0 112.637 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 14.6 ptm180 143.31 -25.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.347 -1.297 . . . . 15.0 109.055 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 26.8 t30 -56.99 -94.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.593 -1.185 . . . . 15.0 112.784 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.92 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.1 m-85 -66.21 116.3 7.13 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.359 0.527 . . . . 15.0 110.773 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . 0.421 ' HA ' HD22 ' P' ' 9' ' ' ASN . 0.7 OUTLIER -74.28 178.07 5.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.218 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.1 OUTLIER -55.56 -25.19 36.66 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.842 0.312 . . . . 15.0 111.842 -179.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.5 tt0 -74.91 -49.04 21.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.019 0.438 . . . . 15.0 110.576 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.591 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.79 -41.76 98.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 15.0 111.47 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 71.6 p -57.66 -54.92 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.964 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 8.2 pt-20 -56.5 -44.08 80.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.333 0.587 . . . . 15.0 110.545 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.447 HD13 ' C ' ' P' ' 37' ' ' LYS . 56.1 mt -59.18 -61.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.16 -0.927 . . . . 15.0 111.785 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.573 ' HB3' ' CE3' ' P' ' 48' ' ' TRP . 52.4 mt -57.41 -45.48 84.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 15.0 110.723 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' P' ' 21' ' ' TYR . 52.5 m-20 -53.51 -60.96 2.64 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.597 0.237 . . . . 15.0 111.561 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.432 ' HG2' ' HB3' ' P' ' 70' ' ' TYR . 55.3 mt-10 -43.41 -38.88 2.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.31 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.571 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.8 t80 -79.62 -39.03 32.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 15.0 110.41 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.55 ' CZ ' HD22 ' P' ' 23' A LEU . 28.4 t80 -53.29 -54.51 35.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.651 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.491 ' CE2' ' HB3' ' P' ' 17' ' ' ASN . 58.5 m-85 -56.84 6.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.81 0.671 . . . . 15.0 112.81 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.523 ' H ' ' C ' ' P' ' 20' ' ' PHE . 46.0 t -108.71 -20.79 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.385 -0.197 . . . . 15.0 110.89 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' P' ' 23' C ASN . 64.4 m170 -129.9 35.75 4.12 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.623 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.597 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -43.65 -61.72 1.31 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 80.0 p -58.12 -8.44 1.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.151 0.426 . . . . 15.0 112.151 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.59 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 13.9 p30 -159.6 66.88 2.87 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.668 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 5.7 Cg_exo -78.32 59.93 7.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.114 2.542 . . . . 15.0 114.225 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.636 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.4 p90 -125.46 108.01 26.66 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.73 ' HG3' HG12 ' P' ' 45' ' ' VAL . 1.3 Cg_endo -44.42 -151.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.337 2.692 . . . . 15.0 112.954 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.97 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 57.8 m -156.0 170.44 22.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.356 -1.72 . . . . 15.0 106.356 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -49.07 -52.5 25.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.463 0.574 . . . . 15.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -69.59 -33.99 73.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.797 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.97 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -62.52 -55.67 25.24 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.995 -0.282 . . . . 15.0 110.645 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.638 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.96 -23.95 62.09 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.274 178.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.505 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 47.6 mt-10 -75.72 -60.08 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.896 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' P' ' 34' ' ' LEU . 16.8 pt-20 -58.58 -48.96 79.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 15.0 110.221 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.724 HD12 HG11 ' P' ' 45' ' ' VAL . 97.5 mt -56.09 -59.75 4.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.91 0.386 . . . . 15.0 110.573 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.55 -30.08 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.405 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.26 -46.53 27.61 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 122.003 0.906 . . . . 15.0 109.374 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.447 ' C ' HD13 ' P' ' 15' ' ' ILE . 24.6 mtpp -66.87 -45.53 77.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.849 -1.523 . . . . 15.0 111.791 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.591 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 57.2 m -74.26 -49.48 23.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 15.0 112.046 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 17.7 8.32 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.893 -0.883 . . . . 15.0 110.893 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.92 HG21 ' CD2' ' P' ' 8' ' ' PHE . 19.8 pt -105.68 -163.82 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.537 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.8 t -121.17 144.23 48.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' P' ' 31' ' ' LYS . 10.6 t -26.0 -75.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 123.254 0.347 . . . . 15.0 111.554 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.516 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.7 m -42.33 -30.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.234 0.827 . . . . 15.0 113.234 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.537 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.3 mm100 -66.77 -33.79 76.41 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.09 0.471 . . . . 15.0 110.178 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.789 HG22 HD11 ' P' ' 40' ' ' ILE . 55.1 t -64.82 -60.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.614 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -51.93 -27.59 13.57 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.434 0.635 . . . . 15.0 109.932 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -51.06 17.26 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.028 -0.987 . . . . 15.0 109.255 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.678 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 72.5 t90 -57.66 -60.62 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.564 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.531 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.0 m-85 -47.36 -56.02 7.7 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.769 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -36.04 -61.89 0.75 Allowed Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.14 -0.482 . . . . 15.0 113.89 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -64.89 -23.2 67.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.797 0.665 . . . . 15.0 112.797 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.616 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.7 mmmt -59.93 -49.37 77.94 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.028 0.381 . . . . 15.0 112.028 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.4 ptt-85 -65.02 -42.72 94.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.549 -0.537 . . . . 15.0 109.549 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.746 HG22 ' HE2' ' P' ' 58' ' ' LYS . 15.2 mm -55.4 -58.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.407 -0.961 . . . . 15.0 108.407 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.683 ' HG3' ' HZ ' ' P' ' 63' ' ' PHE . 10.7 tpt180 -53.18 -37.14 61.65 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.792 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.717 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.2 OUTLIER -49.17 -60.42 2.81 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.378 0.609 . . . . 15.0 110.657 178.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 74.3 mmtt -48.86 -20.37 0.49 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.141 -0.936 . . . . 15.0 113.477 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.746 ' HE2' HG22 ' P' ' 54' ' ' ILE . 2.6 mptp? -75.37 -39.13 59.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.241 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.7 m-20 -135.71 42.75 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.069 0.766 . . . . 15.0 113.069 -178.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.542 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 47.7 mm -14.21 -71.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 115.274 1.583 . . . . 15.0 115.274 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.38 -24.4 51.87 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 116.043 -0.526 . . . . 15.0 114.117 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' P' ' 59' ' ' ASN . 63.2 tttp -65.09 -42.07 94.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.01 0.433 . . . . 15.0 110.015 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.717 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 37.6 m-85 -77.27 -24.93 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.935 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 81.8 mt-30 -55.22 -63.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.99 -47.15 65.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.584 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.0 mt-10 -54.93 -53.7 52.24 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.003 -0.74 . . . . 15.0 109.003 178.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.57 -44.38 6.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.011 -0.995 . . . . 15.0 110.368 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.984 0.421 . . . . 15.0 110.517 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.763 HG22 ' HE3' ' P' ' 73' ' ' LYS . 72.6 mt -65.95 -57.65 9.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.433 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.507 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 86.2 m-85 -66.08 -12.98 59.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.686 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.88 -59.01 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.98 0.419 . . . . 15.0 110.826 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.5 -34.13 73.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.852 -0.613 . . . . 15.0 112.247 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.763 ' HE3' HG22 ' P' ' 69' ' ' ILE . 19.9 ptpt -68.98 -169.28 0.17 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.581 0.229 . . . . 15.0 111.253 -179.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.528 HG22 ' O ' ' P' ' 73' ' ' LYS . 9.6 t 52.23 120.18 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.836 -0.62 . . . . 15.0 111.841 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . 66.83 19.8 10.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 15.0 111.145 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 8.4 p -85.54 -33.32 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 79.3 p -146.0 61.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.208 -0.901 . . . . 15.0 111.136 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.609 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -0.985 0 C4'-C3'-C2' 104.924 1.724 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.766 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 107.9 1.636 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.766 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C3'-C2'-C1' 101.58 -0.8 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.634 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C5'-C4'-O4' 108.744 -0.41 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.634 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C4'-C3'-C2' 104.036 0.836 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.628 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 101.023 -1.198 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.978 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.532 0.804 0 O4'-C1'-C2' 107.516 1.287 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.978 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 P-O3'-C3' 120.662 0.801 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.755 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 C3'-C2'-C1' 99.413 -2.348 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.755 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.717 0 C3'-C2'-C1' 104.856 1.54 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.535 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 107.612 1.374 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.503 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.876 0.84 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.669 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.659 1.418 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.669 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 P-O3'-C3' 120.323 0.519 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.575 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.597 0 C3'-C2'-C1' 101.928 -0.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.575 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C5'-C4'-O4' 108.686 -0.447 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.508 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.288 1.08 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.707 H2'' HD12 ' P' ' 54' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 N19-C1'-C2' 115.535 0.834 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.487 ' H2 ' ' O2 ' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C3'-C2'-C1' 105.014 1.653 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.911 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.863 0 C3'-C2'-C1' 99.864 -2.025 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.911 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.537 1.145 0 C2'-C3'-O3' 114.777 1.547 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.733 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.405 -1.161 0 C4'-C3'-C2' 105.078 1.878 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.66 ' C8 ' ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.408 -0.902 0 C1'-O4'-C4' 107.77 -1.379 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.761 ' OP1' ' HB1' ' P' ' 1' ' ' ALA . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 100.54 -1.543 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.714 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C4'-C3' 104.174 -1.426 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.714 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.438 0.576 0 C3'-C2'-C1' 105.149 1.749 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.636 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C4'-C3' 106.315 0.715 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.551 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.17 0.463 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 11.2 tmm? . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.814 0.34 . . . . 15.0 110.636 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.761 ' HB1' ' OP1' ' B' ' 24' ' ' ' DT' . . . -73.49 172.66 10.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.968 0.413 . . . . 15.0 111.314 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.572 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 91.4 mtt180 -51.42 -94.2 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.893 0.701 . . . . 15.0 112.893 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.545 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.2 OUTLIER -176.34 148.74 0.78 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.081 1.511 . . . . 15.0 115.081 -178.107 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.872 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER 179.95 -55.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.484 -0.78 . . . . 15.0 111.907 173.598 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.872 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 0.2 OUTLIER -149.21 143.17 25.74 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.249 0.547 . . . . 15.0 111.504 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 24.1 ptt85 148.19 -29.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.363 -1.289 . . . . 15.0 107.575 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.688 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 31.9 t30 -61.28 -95.66 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 113.9 -1.5 . . . . 15.0 110.779 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.938 ' CD2' HG21 ' P' ' 40' ' ' ILE . 15.0 m-85 -64.81 110.62 2.47 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.743 0.702 . . . . 15.0 109.833 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . 0.469 ' ND2' ' CD ' ' P' ' 10' ' ' LYS . 42.5 t30 -69.21 174.23 4.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.456 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.469 ' CD ' ' ND2' ' P' ' 9' ' ' ASN . 0.0 OUTLIER -57.89 -18.3 21.99 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.999 -0.281 . . . . 15.0 111.538 -178.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -76.29 -47.48 23.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 15.0 109.815 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.601 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.45 -45.4 91.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.589 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.494 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.7 p -53.54 -57.45 10.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.966 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' P' ' 18' ' ' GLU . 13.3 pt-20 -54.05 -39.34 66.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.385 0.612 . . . . 15.0 110.753 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' P' ' 38' ' ' SER . 83.4 mt -66.59 -55.95 16.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.214 -0.903 . . . . 15.0 112.109 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.586 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.9 mt -62.3 -48.02 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.42 0.526 . . . . 15.0 112.42 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' P' ' 13' ' ' THR . 19.4 p30 -60.73 -52.13 66.4 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.398 -0.521 . . . . 15.0 110.741 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' P' ' 14' ' ' GLU . 43.6 mm-40 -45.32 -34.61 3.05 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.862 0.363 . . . . 15.0 110.857 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.575 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.8 t80 -82.94 -40.92 19.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.467 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.663 ' CZ ' HD22 ' P' ' 23' A LEU . 3.4 t80 -48.25 -52.22 22.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 15.0 110.482 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.3 m-85 -56.19 2.43 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.501 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.492 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.7 m -107.03 -23.0 12.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.646 0.26 . . . . 15.0 110.323 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -130.2 42.05 3.32 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.945 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.663 HD22 ' CZ ' ' P' ' 20' ' ' PHE . 2.7 mt -45.39 -61.17 1.78 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.56 0.219 . . . . 15.0 111.471 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 23' B SER . . . . . 0.5 ' O ' ' ND2' ' P' ' 23' C ASN . 52.8 m -58.26 -4.09 0.33 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.5 ' ND2' ' O ' ' P' ' 23' B SER . 8.1 m120 -141.59 73.13 24.64 Favored Pre-proline 0 C--N 1.332 -0.155 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' P' ' 23' A LEU . 47.0 Cg_endo -67.53 55.84 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.022 2.481 . . . . 15.0 113.25 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.47 124.35 3.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.118 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.665 ' HG3' HG12 ' P' ' 45' ' ' VAL . 36.3 Cg_endo -60.14 -151.16 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.756 2.304 . . . . 15.0 111.807 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.956 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 44.5 t -144.06 172.4 12.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.289 -1.745 . . . . 15.0 106.289 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.6 mt-10 -52.52 -54.93 26.03 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.993 0.815 . . . . 15.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -70.78 -23.84 62.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.518 -0.31 . . . . 15.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.956 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -72.55 -53.77 11.05 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.752 0.311 . . . . 15.0 110.467 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.794 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.8 OUTLIER -61.51 -21.98 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.569 -0.452 . . . . 15.0 110.4 179.066 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.518 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 48.5 mt-10 -75.87 -59.51 2.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.74 -47.93 82.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 15.0 109.824 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.783 HD12 HG11 ' P' ' 45' ' ' VAL . 93.4 mt -54.55 -59.02 5.26 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.84 -32.12 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 15.0 112.417 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.77 -46.78 28.92 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.919 0.866 . . . . 15.0 109.325 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.428 ' C ' HD13 ' P' ' 15' ' ' ILE . 24.2 mtpp -66.13 -45.52 80.75 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.864 -1.517 . . . . 15.0 111.519 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.601 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 37.9 m -74.18 -51.06 16.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.369 -0.832 . . . . 15.0 112.148 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.2 20.33 6.34 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.938 HG21 ' CD2' ' P' ' 8' ' ' PHE . 16.8 pt -108.71 -162.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 15.0 109.417 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.509 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.1 t -121.5 145.0 48.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.794 HG13 ' HG3' ' P' ' 31' ' ' LYS . 22.1 t -27.23 -74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.77 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.448 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.4 m -43.2 -31.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.498 0.925 . . . . 15.0 113.498 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.509 ' OE1' HG22 ' P' ' 41' ' ' THR . 86.6 mt-30 -66.68 -35.99 81.45 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.364 -0.535 . . . . 15.0 110.18 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.844 HG22 HD11 ' P' ' 40' ' ' ILE . 54.9 t -61.33 -57.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.98 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -51.82 -54.42 29.06 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.348 0.594 . . . . 15.0 109.518 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -50.81 -50.91 55.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.924 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.6 ' CH2' ' HG2' ' P' ' 52' ' ' LYS . 73.0 t90 -57.35 -55.67 31.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.092 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.729 ' HA ' ' HD2' ' P' ' 52' ' ' LYS . 6.0 m-85 -47.47 -52.38 17.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.655 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.498 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -58.0 -37.2 84.52 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.121 -1.038 . . . . 15.0 112.89 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.475 ' O ' HG12 ' P' ' 54' ' ' ILE . 78.7 m-20 -65.24 -77.96 0.06 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.116 0.784 . . . . 15.0 113.116 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.729 ' HD2' ' HA ' ' P' ' 49' ' ' PHE . 0.0 OUTLIER -41.14 -39.17 1.22 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.845 0.683 . . . . 15.0 112.845 -177.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.785 ' HD2' HD13 ' P' ' 54' ' ' ILE . 0.0 OUTLIER -53.37 -46.02 69.43 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 178.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 1.025 HG22 ' HE3' ' P' ' 58' ' ' LYS . 11.4 mm -53.19 -52.79 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.244 -0.434 . . . . 15.0 110.107 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' P' ' 52' ' ' LYS . 4.1 ptt-85 -53.81 -24.81 16.62 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.513 -0.475 . . . . 15.0 111.486 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.773 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -59.19 -60.01 4.54 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.431 -0.581 . . . . 15.0 109.431 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.745 ' HA ' HD11 ' P' ' 60' ' ' ILE . 74.5 mmtt -46.43 -15.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.372 0.878 . . . . 15.0 113.372 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 1.025 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.7 OUTLIER -81.63 -36.58 28.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.88 -179.78 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' P' ' 62' ' ' LYS . 61.0 m-80 -136.5 37.89 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.666 0.617 . . . . 15.0 112.666 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' P' ' 57' ' ' LYS . 51.5 mm -13.71 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 115.046 1.498 . . . . 15.0 115.046 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.35 -25.85 27.84 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 116.188 -0.46 . . . . 15.0 113.623 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' P' ' 59' ' ' ASN . 62.7 tttp -68.03 -40.41 82.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.959 0.409 . . . . 15.0 110.389 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.773 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 39.3 m-85 -82.01 -23.49 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.948 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -56.72 -65.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.467 ' O ' HG13 ' P' ' 69' ' ' ILE . 44.1 tt0 -53.07 -46.44 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.74 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.753 ' OE1' HD12 ' P' ' 69' ' ' ILE . 5.6 mm-40 -55.8 -53.66 54.03 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.25 -39.52 3.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.965 -1.016 . . . . 15.0 110.807 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -74.18 -33.69 63.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.015 0.436 . . . . 15.0 110.196 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.753 HD12 ' OE1' ' P' ' 66' ' ' GLU . 74.9 mt -68.85 -50.22 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.832 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.48 ' O ' ' HG2' ' P' ' 73' ' ' LYS . 13.4 m-85 -66.32 -47.55 73.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.253 0.549 . . . . 15.0 110.648 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.76 30.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.607 -0.724 . . . . 15.0 111.511 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.25 -32.47 72.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.483 0.92 . . . . 15.0 113.483 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.651 ' CE ' HG22 ' P' ' 69' ' ' ILE . 19.6 ptpt -68.66 -41.92 78.62 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.713 -0.395 . . . . 15.0 111.629 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.597 HG22 ' HG3' ' P' ' 73' ' ' LYS . 9.6 t -148.72 169.83 19.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.884 0.373 . . . . 15.0 111.174 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 70.31 9.49 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 15.0 111.386 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.405 HG13 ' O ' ' P' ' 76' ' ' VAL . 11.4 p -86.26 126.97 40.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.774 0.321 . . . . 15.0 111.031 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -146.15 127.02 14.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.273 -0.87 . . . . 15.0 111.1 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.563 ' H22' ' H42' ' B' ' 28' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.895 0 C4'-C3'-C2' 104.984 1.784 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.911 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.873 1.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.911 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C4'-C3'-C2' 104.703 1.503 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.546 " O5'" ' H6 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.168 0.971 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.538 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C3'-C2'-C1' 101.369 -0.95 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.778 H2'' ' OP2' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C2'-C3'-O3' 113.704 1.15 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.843 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.531 0.705 0 C3'-C2'-C1' 105.057 1.683 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.843 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 C4'-C3'-C2' 101.697 -1.503 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.812 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.893 0 C3'-C2'-C1' 99.459 -2.315 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.812 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.599 0 N19-C1'-C2' 111.949 -1.407 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.548 " H5'" " H1'" ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 107.455 1.232 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.503 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C1'-O4'-C4' 110.821 0.8 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.662 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 104.885 1.561 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.662 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C5'-C4'-O4' 108.58 -0.513 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.512 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O5'-C5'-C4' 110.932 0.523 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.537 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C3'-C2'-C1' 102.046 -0.467 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.537 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.532 0.806 0 O4'-C1'-C2' 107.34 1.128 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.731 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 N19-C1'-C2' 115.421 0.763 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.731 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 C3'-C2'-C1' 101.496 -0.86 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.825 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.078 0 C3'-C2'-C1' 98.855 -2.747 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.825 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.43 0.794 0 C4'-C3'-C2' 100.39 -2.81 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.552 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.407 -1.006 0 C1'-O4'-C4' 106.785 -2.082 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.827 " C2'" ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C1'-O4'-C4' 107.718 -1.416 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.827 ' H72' " C2'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.864 0 C3'-C2'-C1' 100.014 -1.919 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.705 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.521 -0.677 0 C2'-C3'-O3' 113.297 0.999 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.755 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.56 0 C3'-C2'-C1' 105.158 1.756 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.643 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C4'-C3' 106.378 0.778 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.563 ' H42' ' H22' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C3'-C2'-C1' 102.053 -0.462 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . 0.508 ' HE2' " O3'" ' A' ' 9' ' ' ' DT' . 47.8 ttp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.855 0.359 . . . . 15.0 111.117 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.525 ' O ' ' NE ' ' P' ' 3' ' ' ARG . . . -167.05 -29.46 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.193 -0.458 . . . . 15.0 111.785 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.56 ' HD2' " O3'" ' B' ' 23' ' ' ' DA' . 4.5 mmt-85 -48.36 89.37 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.92 -178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.587 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -158.67 133.4 8.19 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.718 0.636 . . . . 15.0 112.718 -178.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.704 ' CB ' ' H2 ' ' B' ' 23' ' ' ' DA' . 0.0 OUTLIER -178.54 -28.14 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.958 1.095 . . . . 15.0 113.958 176.665 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.646 ' CG ' ' HD2' ' P' ' 4' ' ' LYS . 21.2 mtt-85 -147.86 -155.7 0.65 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.552 0.614 . . . . 15.0 111.812 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.608 ' CG ' ' O ' ' P' ' 5' ' ' ARG . 31.5 ptt85 57.09 -31.82 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.089 0.956 . . . . 15.0 112.33 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.639 ' H ' ' C ' ' P' ' 5' ' ' ARG . 37.1 t30 -55.01 -90.05 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.68 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' P' ' 40' ' ' ILE . 2.6 m-30 -81.72 120.25 24.89 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.699 -0.482 . . . . 15.0 109.699 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . 0.635 ' O ' HG23 ' P' ' 13' ' ' THR . 41.0 t30 -72.95 173.34 9.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.983 -0.553 . . . . 15.0 111.167 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' P' ' 10' ' ' LYS . 12.9 mptt -55.73 -30.2 60.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.782 0.325 . . . . 15.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -65.77 -51.05 62.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.38 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.599 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.599 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.635 HG23 ' O ' ' P' ' 9' ' ' ASN . 44.5 p -57.09 -56.02 27.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.88 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.1 pt-20 -55.22 -42.92 73.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.467 0.651 . . . . 15.0 110.547 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.499 HG23 ' HE3' ' P' ' 37' ' ' LYS . 75.6 mt -64.09 -56.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.038 -0.983 . . . . 15.0 111.804 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.739 HD11 HD13 ' P' ' 40' ' ' ILE . 80.1 mt -63.19 -47.31 83.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 15.0 112.813 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -60.64 -52.93 63.06 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.056 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 45.9 mt-10 -44.01 -44.97 7.66 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.719 0.295 . . . . 15.0 111.308 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.482 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -71.57 -40.25 70.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 15.0 110.393 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.612 ' CE1' HD21 ' P' ' 23' A LEU . 1.3 t80 -51.71 -48.74 63.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.728 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -62.77 8.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.302 0.482 . . . . 15.0 112.302 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.485 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.7 t -105.83 -24.92 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 15.0 110.571 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' P' ' 23' C ASN . 59.8 m170 -127.93 38.67 3.98 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.134 -0.485 . . . . 15.0 111.053 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.743 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 8.0 mt -42.46 -62.09 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 46.6 t -58.73 -10.85 2.58 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.933 0.346 . . . . 15.0 111.933 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.55 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 75.2 m-80 -150.74 69.7 8.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.743 ' HD3' ' O ' ' P' ' 23' A LEU . 58.9 Cg_endo -81.16 54.1 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.876 2.384 . . . . 15.0 114.028 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.596 ' O ' ' O ' ' P' ' 26' ' ' PRO . 6.0 p90 -129.45 110.6 17.75 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.042 -0.725 . . . . 15.0 109.042 177.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.836 ' HG3' HG12 ' P' ' 45' ' ' VAL . 3.3 Cg_endo -46.36 -151.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.257 2.638 . . . . 15.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.912 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 53.5 m -154.73 176.93 11.83 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.138 -1.43 . . . . 15.0 107.138 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -53.13 -53.08 55.67 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.078 -0.649 . . . . 15.0 110.464 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 12.4 pt-20 -73.17 -26.03 61.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.815 0.302 . . . . 15.0 111.815 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.912 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -66.94 -52.07 47.47 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.064 -0.717 . . . . 15.0 109.064 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.86 ' CB ' HG13 ' P' ' 42' ' ' VAL . 12.2 mttt -55.17 -30.54 60.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.496 178.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' P' ' 36' ' ' LYS . 54.9 mt-10 -71.67 -59.49 2.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 15.0 109.747 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 23.9 pt-20 -57.73 -50.49 73.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 15.0 110.32 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.777 HD12 HG11 ' P' ' 45' ' ' VAL . 96.6 mt -58.29 -61.29 2.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 15.0 111.44 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' P' ' 40' ' ' ILE . . . -56.29 -30.52 62.61 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.834 0.679 . . . . 15.0 112.834 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.524 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.2 OUTLIER -75.95 -46.36 30.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.984 0.897 . . . . 15.0 109.307 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.499 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.4 mtpp -66.55 -48.14 70.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 113.804 -1.544 . . . . 15.0 111.328 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.599 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 50.3 m -75.5 -52.95 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.25 -0.887 . . . . 15.0 112.507 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.13 19.01 6.06 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.835 -0.697 . . . . 15.0 111.842 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.754 HD11 HG22 ' P' ' 45' ' ' VAL . 6.0 pt -103.15 -166.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.842 -0.429 . . . . 15.0 109.842 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.555 ' O ' ' N ' ' P' ' 44' ' ' GLN . 7.9 t -116.85 134.4 54.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.618 -0.882 . . . . 15.0 108.618 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.86 HG13 ' CB ' ' P' ' 31' ' ' LYS . 42.9 t -21.41 -77.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.105 0.409 . . . . 15.0 112.105 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . . . . . . . . . 52.0 m -43.72 -28.33 0.4 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.835 0.68 . . . . 15.0 112.835 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' P' ' 41' ' ' THR . 3.4 tp60 -67.0 -37.43 84.18 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.294 0.569 . . . . 15.0 110.015 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.836 HG12 ' HG3' ' P' ' 26' ' ' PRO . 62.1 t -61.22 -57.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.394 -0.821 . . . . 15.0 111.029 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . 0.406 ' HB3' ' HE2' ' P' ' 31' ' ' LYS . 77.5 p -54.52 -28.12 43.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.498 0.666 . . . . 15.0 109.901 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -51.38 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.793 -1.094 . . . . 15.0 108.751 178.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 63.1 t90 -57.59 -59.16 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.805 -1.089 . . . . 15.0 111.258 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.707 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.5 m-85 -47.99 -55.52 9.84 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.473 -0.785 . . . . 15.0 111.819 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.441 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -41.2 -50.85 4.42 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.987 -0.625 . . . . 15.0 113.301 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.46 ' OD1' ' N7 ' ' A' ' 8' ' ' ' DA' . 1.2 t-20 -64.19 -35.37 80.59 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.741 0.275 . . . . 15.0 111.741 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.573 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.0 mmmm -52.28 -47.88 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.284 0.476 . . . . 15.0 112.284 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.668 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 6.1 ptm180 -61.99 -43.16 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.078 -0.712 . . . . 15.0 109.078 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.856 HG22 ' HE2' ' P' ' 58' ' ' LYS . 13.7 mm -55.03 -58.11 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.408 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' P' ' 58' ' ' LYS . 56.0 ttt-85 -52.46 -33.33 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.815 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.671 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.8 t80 -55.61 -60.42 3.45 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.207 0.527 . . . . 15.0 110.437 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.528 ' HA ' HD11 ' P' ' 60' ' ' ILE . 75.1 mmtt -47.54 -18.13 0.12 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.763 1.023 . . . . 15.0 113.763 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.856 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.0 mptp? -74.45 -37.83 63.14 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.979 0.418 . . . . 15.0 110.319 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' P' ' 62' ' ' LYS . 44.0 m-20 -140.93 44.25 1.81 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.893 0.701 . . . . 15.0 112.893 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' P' ' 57' ' ' LYS . 47.8 mm -13.88 -69.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 114.977 1.473 . . . . 15.0 114.977 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.05 -26.03 47.94 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 113.786 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.1 tmtm? -68.33 -41.64 80.49 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.671 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 35.7 m-85 -78.17 -27.76 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.892 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.8 mt-30 -53.66 -62.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.302 -0.629 . . . . 15.0 109.302 179.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.47 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -51.82 -46.61 64.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.59 179.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -55.97 -51.92 65.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.739 -0.837 . . . . 15.0 108.739 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.66 -44.27 6.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.647 -1.161 . . . . 15.0 110.612 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -75.58 -31.49 59.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.654 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.47 HG13 ' O ' ' P' ' 65' ' ' GLU . 95.5 mt -66.9 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.966 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.413 ' HA ' ' HD3' ' P' ' 73' ' ' LYS . 59.4 m-85 -66.27 -32.59 74.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.61 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.9 -57.05 14.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 15.0 111.079 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.09 -23.17 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 15.0 111.895 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 8.0 mtpm? -68.91 86.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 15.0 110.928 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' P' ' 75' ' ' ALA . 8.3 t -149.6 128.27 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.666 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 70.27 14.58 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.306 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.496 ' O ' HG22 ' P' ' 77' ' ' THR . 9.7 p -85.08 147.62 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.484 -0.326 . . . . 15.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . 0.496 HG22 ' O ' ' P' ' 76' ' ' VAL . 8.9 t 47.83 -171.2 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 15.0 111.045 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.588 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.956 0 C4'-C3'-C2' 104.849 1.649 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.718 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.849 1.59 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.718 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C3'-C2'-C1' 101.622 -0.77 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.689 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C3'-C2'-C1' 101.824 -0.626 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.689 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 103.696 0.496 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.585 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 100.85 -1.321 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 1.037 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 105.253 1.823 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 1.037 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.384 1.167 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 1.11 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.509 -0.898 0 C3'-C2'-C1' 99.56 -2.243 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 1.11 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.529 0.542 0 N19-C1'-C2' 111.457 -1.714 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.497 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 104.405 1.205 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.497 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 107.099 0.908 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.704 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-C1' 104.674 1.41 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.704 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 P-O3'-C3' 120.391 0.576 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.517 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O5'-C5'-C4' 110.931 0.522 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.517 ' N3 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.163 -0.384 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.512 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.265 1.059 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.533 H2'' ' OP2' ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C3'-C2'-C1' 101.632 -0.763 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.58 ' H8 ' HD12 ' P' ' 54' ' ' ILE . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C2'-C3'-O3' 112.325 0.639 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 1.037 H2'' ' H71' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 98.397 -3.074 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 1.037 ' H71' H2'' ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.516 -1.204 0 C4'-C3'-C2' 99.84 -3.36 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.858 H2'' " O5'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.44 -0.555 0 O4'-C1'-C2' 108.12 1.836 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.858 " O5'" H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 N19-C1'-C2' 115.928 1.08 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 1.032 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.505 -1.117 0 O4'-C1'-N19 109.423 2.028 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.75 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C4'-C3'-C2' 102.207 -0.993 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.765 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.438 0.51 0 C3'-C2'-C1' 104.846 1.533 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.712 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 106.255 0.655 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.5 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C3'-C2'-C1' 101.984 -0.512 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.742 0.306 . . . . 15.0 110.668 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.586 ' HB3' " H3'" ' B' ' 24' ' ' ' DT' . . . -166.25 -157.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 15.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.54 ' N ' H5'' ' B' ' 24' ' ' ' DT' . 65.2 mtt85 -47.69 -87.02 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.172 0.434 . . . . 15.0 112.172 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.532 ' HG3' " H1'" ' A' ' 8' ' ' ' DA' . 0.1 OUTLIER -167.25 153.94 8.36 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.118 0.785 . . . . 15.0 113.118 -178.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 1.032 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.36 -60.12 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.011 -0.54 . . . . 15.0 111.836 176.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.919 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 78.2 mtp180 -170.97 171.21 5.99 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.09 -0.707 . . . . 15.0 109.09 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.572 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 18.8 ptt85 132.17 -31.87 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.242 1.017 . . . . 15.0 109.162 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.578 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 40.3 t30 -60.24 -91.76 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.761 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.755 ' CD2' HG21 ' P' ' 40' ' ' ILE . 1.0 OUTLIER -72.98 112.35 8.93 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.986 -0.446 . . . . 15.0 111.578 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . 0.454 ' ND2' ' H ' ' P' ' 10' ' ' LYS . 0.5 OUTLIER -74.78 -176.82 2.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.206 -0.452 . . . . 15.0 109.889 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.454 ' H ' ' ND2' ' P' ' 9' ' ' ASN . 31.4 mmmt -56.51 -37.3 70.24 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.837 0.351 . . . . 15.0 111.309 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.2 tp-100 -56.25 -50.61 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.219 0.533 . . . . 15.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -64.82 -46.1 83.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.746 -0.661 . . . . 15.0 111.666 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 71.2 p -56.09 -53.67 54.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.979 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.546 ' HA ' ' ND2' ' P' ' 17' ' ' ASN . 14.8 pt-20 -55.67 -40.47 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 15.0 110.695 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.483 HD12 ' O ' ' P' ' 11' ' ' GLN . 47.7 mt -72.42 -56.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.633 HD22 ' HE1' ' P' ' 49' ' ' PHE . 70.3 mt -57.83 -40.01 79.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.252 0.464 . . . . 15.0 112.252 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.546 ' ND2' ' HA ' ' P' ' 14' ' ' GLU . 3.8 p30 -60.37 -54.57 44.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.753 -0.379 . . . . 15.0 111.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 50.7 mm-40 -42.75 -49.51 5.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 15.0 111.727 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.562 ' CD2' HD11 ' P' ' 34' ' ' LEU . 7.9 t80 -73.54 -34.57 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.966 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.58 ' CE2' HD21 ' P' ' 23' A LEU . 36.5 t80 -55.54 -48.5 74.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 15.0 111.66 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' P' ' 67' ' ' ALA . 58.6 m-85 -66.9 14.53 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.917 0.34 . . . . 15.0 111.917 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.502 ' H ' ' C ' ' P' ' 20' ' ' PHE . 40.6 t -112.68 -24.5 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 15.0 110.208 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.423 ' CE1' ' OH ' ' P' ' 19' ' ' TYR . 52.2 m170 -122.91 34.48 5.12 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.074 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.58 HD21 ' CE2' ' P' ' 20' ' ' PHE . 0.8 OUTLIER -45.63 -58.62 3.29 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.042 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -57.84 -9.71 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.692 0.282 . . . . 15.0 111.381 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.431 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 74.6 m-80 -142.51 70.19 21.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 15.0 108.457 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.639 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 31.4 Cg_exo -63.38 56.15 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.723 2.949 . . . . 15.0 113.979 -177.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.532 ' O ' ' O ' ' P' ' 26' ' ' PRO . 1.6 p90 -154.75 120.32 2.66 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.581 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.707 ' HG3' HG12 ' P' ' 45' ' ' VAL . 10.1 Cg_endo -49.95 -150.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.242 2.628 . . . . 15.0 112.409 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.965 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 45.1 t -147.78 169.48 19.66 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.153 -1.795 . . . . 15.0 106.153 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -49.96 -53.83 23.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 118.887 0.767 . . . . 15.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.0 -31.18 69.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.559 -0.292 . . . . 15.0 110.646 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.965 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -64.64 -55.46 20.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 15.0 110.754 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.739 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.08 -24.57 63.03 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.121 -0.632 . . . . 15.0 110.392 178.762 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.519 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 51.3 mt-10 -75.86 -60.53 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 15.0 109.923 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -58.08 -48.61 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.954 -0.388 . . . . 15.0 109.954 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.653 HD12 HG11 ' P' ' 45' ' ' VAL . 95.7 mt -55.26 -61.86 2.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.712 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.424 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.19 -30.77 28.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 15.0 111.845 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.521 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.04 -45.02 36.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.978 0.894 . . . . 15.0 109.495 179.163 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.452 ' HE2' HG23 ' P' ' 15' ' ' ILE . 50.4 mtpt -67.44 -48.03 68.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.923 -1.49 . . . . 15.0 111.962 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.6 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 4.6 p -74.12 -50.33 19.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.579 -0.737 . . . . 15.0 112.104 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.65 22.33 5.44 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.242 -0.743 . . . . 15.0 111.242 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.953 HD11 HG22 ' P' ' 45' ' ' VAL . 21.0 pt -109.08 -162.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.553 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -121.72 145.49 47.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.739 HG13 ' HG3' ' P' ' 31' ' ' LYS . 17.5 t -27.29 -74.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.551 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.437 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.2 m -43.05 -32.56 0.69 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.437 0.902 . . . . 15.0 113.437 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.553 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 13.5 mm-40 -66.44 -38.13 86.72 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 120.519 -0.472 . . . . 15.0 110.308 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.953 HG22 HD11 ' P' ' 40' ' ' ILE . 66.1 t -57.51 -55.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.291 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -54.98 -27.27 42.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.159 0.505 . . . . 15.0 110.332 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.56 -51.46 16.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.29 178.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.49 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 53.7 t90 -57.12 -59.66 4.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.432 -0.803 . . . . 15.0 110.784 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.633 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.3 m-85 -48.31 -57.39 6.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.952 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.577 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -46.72 -35.45 7.63 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.672 -0.775 . . . . 15.0 112.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.35 -34.1 65.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 15.0 111.202 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' P' ' 20' ' ' PHE . 4.7 mmmp? -55.25 -47.27 75.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.419 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.7 ' NH1' HD11 ' P' ' 54' ' ' ILE . 17.1 ptt85 -61.91 -43.99 97.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.195 0.522 . . . . 15.0 110.102 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.857 HG22 ' HE3' ' P' ' 58' ' ' LYS . 28.7 mm -56.57 -69.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.865 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.483 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 15.5 ttp-105 -49.38 -28.52 5.12 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.783 0.325 . . . . 15.0 111.049 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.726 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 0.1 OUTLIER -57.95 -62.75 1.59 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.205 0.526 . . . . 15.0 110.096 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.674 ' HE2' ' HA ' ' P' ' 57' ' ' LYS . 9.6 mmpt? -45.78 -18.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.395 0.887 . . . . 15.0 113.395 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.857 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -79.92 -38.34 32.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.318 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' P' ' 62' ' ' LYS . 51.5 m-20 -134.94 41.14 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.584 HG23 ' HE1' ' P' ' 56' ' ' TYR . 28.2 mm -13.79 -72.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 114.779 1.4 . . . . 15.0 114.779 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.86 -24.22 13.03 Favored Glycine 0 C--N 1.336 0.583 0 CA-C-N 116.108 -0.496 . . . . 15.0 113.972 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 4.0 ttmp? -70.15 -36.85 75.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.952 0.406 . . . . 15.0 110.036 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 36.1 m-85 -83.09 -21.04 33.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.68 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.07 -68.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.779 -0.823 . . . . 15.0 108.779 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.458 ' O ' HG13 ' P' ' 69' ' ' ILE . 6.3 mp0 -51.18 -43.42 61.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.646 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 5.5 mm-40 -58.04 -53.01 63.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.453 0.644 . . . . 15.0 109.579 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.431 ' HA ' ' CD1' ' P' ' 21' ' ' TYR . . . -43.74 -44.1 6.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.943 -1.026 . . . . 15.0 111.111 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -80.75 -26.1 37.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.632 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' P' ' 73' ' ' LYS . 35.5 mt -67.31 -58.05 7.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.576 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.471 ' HA ' ' HE3' ' P' ' 73' ' ' LYS . 85.6 m-85 -65.42 -38.27 89.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.923 -178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.82 -54.48 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.545 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.54 4.37 1.07 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.491 0.923 . . . . 15.0 113.491 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.58 ' O ' HG12 ' P' ' 76' ' ' VAL . 8.5 mtmp? -87.72 23.61 1.94 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 118.153 0.433 . . . . 15.0 111.704 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' P' ' 75' ' ' ALA . 8.8 t -90.77 130.17 36.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 15.0 110.603 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 67.0 18.07 10.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.069 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.58 HG12 ' O ' ' P' ' 73' ' ' LYS . 7.9 p -85.38 -31.95 7.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 15.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . 0.497 HG23 HG13 ' P' ' 76' ' ' VAL . 71.4 p -93.67 -40.99 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.248 -0.882 . . . . 15.0 111.193 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.588 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.885 0 C4'-C3'-C2' 104.902 1.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.588 ' C5 ' " H1'" ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C3'-C2'-C1' 105.154 1.753 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.645 ' N2 ' ' N3 ' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.908 0 C4'-C3'-C2' 104.975 1.775 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.65 H2'' " O5'" ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.486 1.26 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.65 " O5'" H2'' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C3'-C2'-C1' 101.293 -1.005 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.483 ' H72' " H2'" ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C3'-C2'-C1' 100.961 -1.242 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.521 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-C2' 104.365 1.165 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.613 " O4'" ' HG2' ' P' ' 3' ' ' ARG . . . . . . . . 0 O5'--C5' 1.423 -1.068 0 C5'-C4'-O4' 108.273 -0.704 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.71 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 C3'-C2'-C1' 99.409 -2.351 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.71 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.752 0 C3'-C2'-C1' 104.923 1.588 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.56 " H5'" " H1'" ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.522 1.292 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.536 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C1'-O4'-C4' 110.503 0.574 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.55 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.611 1.374 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.55 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C4'-C3'-C2' 103.971 0.771 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.442 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 O5'-C5'-C4' 110.912 0.509 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.545 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 102.042 -0.47 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.545 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.385 1.168 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.603 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 N19-C1'-C2' 115.785 0.991 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.603 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.755 0 C4'-C3'-C2' 104.824 1.624 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.962 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.2 0 C3'-C2'-C1' 98.895 -2.718 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.962 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.445 1.101 0 C2'-C3'-O3' 114.701 1.519 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.678 H2'' " O4'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.435 -0.981 0 C3'-C2'-C1' 105.075 1.696 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.806 " C2'" ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 108.666 1.082 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.806 ' H72' " C2'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 C3'-C2'-C1' 100.305 -1.71 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.742 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C2'-C3'-O3' 113.064 0.913 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.777 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.438 0.567 0 C3'-C2'-C1' 104.964 1.617 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.695 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 O4'-C4'-C3' 106.282 0.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.533 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 101.971 -0.52 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 93.5 mmm . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.873 0.368 . . . . 15.0 111.312 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.641 ' O ' ' HD3' ' P' ' 3' ' ' ARG . . . -167.83 -24.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.792 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.584 ' HA ' " O3'" ' B' ' 23' ' ' ' DA' . 10.0 mmt85 -61.99 82.47 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.891 0 O-C-N 122.121 -0.362 . . . . 15.0 110.788 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.641 ' HD3' ' O ' ' P' ' 1' ' ' ALA . 0.0 OUTLIER -171.01 145.72 2.34 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.899 0.703 . . . . 15.0 112.899 -178.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.85 ' HD2' ' HB2' ' P' ' 5' ' ' ARG . 0.0 OUTLIER -178.52 -40.34 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.895 0.702 . . . . 15.0 112.895 176.006 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.85 ' HB2' ' HD2' ' P' ' 4' ' ' LYS . 4.4 mtt-85 -148.58 141.77 25.03 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.437 0.532 . . . . 15.0 112.437 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 13.4 ptm180 139.21 -24.23 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.372 -1.286 . . . . 15.0 109.075 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' P' ' 8' ' ' PHE . 36.0 t30 -70.77 -97.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.932 -1.031 . . . . 15.0 112.468 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.955 ' CD1' HG21 ' P' ' 40' ' ' ILE . 51.2 m-85 -59.1 110.05 0.97 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 118.372 0.533 . . . . 15.0 111.346 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.8 t-20 -66.22 165.92 12.94 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.444 -0.798 . . . . 15.0 111.188 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.498 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 31.5 mmmt -53.64 -24.8 15.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.077 0.465 . . . . 15.0 110.795 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.568 HE21 HD11 ' P' ' 15' ' ' ILE . 71.2 tp60 -72.1 -47.56 50.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.488 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.615 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.21 -44.54 95.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 15.0 111.946 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.488 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 65.2 p -54.79 -56.32 20.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.911 -0.586 . . . . 15.0 112.055 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 16.6 pt-20 -54.39 -39.77 67.56 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.376 0.607 . . . . 15.0 110.847 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' P' ' 38' ' ' SER . 76.2 mt -67.05 -56.47 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.129 -0.941 . . . . 15.0 112.387 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.57 HD22 ' HE1' ' P' ' 49' ' ' PHE . 78.0 mt -60.72 -47.48 86.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.57 0.582 . . . . 15.0 112.57 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.493 ' HB2' ' CE2' ' P' ' 21' ' ' TYR . 23.5 p30 -60.98 -52.26 65.77 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.511 -0.475 . . . . 15.0 111.331 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.548 ' HB3' HG21 ' P' ' 74' ' ' THR . 46.3 mt-10 -46.52 -38.25 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 15.0 110.952 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.518 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.8 t80 -78.38 -41.98 31.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.041 0.448 . . . . 15.0 110.191 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' P' ' 52' ' ' LYS . 30.7 t80 -49.88 -51.28 41.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.004 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.529 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 63.3 m-85 -58.52 7.0 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.572 0.582 . . . . 15.0 112.572 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.522 ' H ' ' C ' ' P' ' 20' ' ' PHE . 48.8 m -109.94 -22.63 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 15.0 110.511 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' P' ' 23' C ASN . 63.4 m170 -126.44 37.6 4.28 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.342 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.606 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.3 -61.97 1.45 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.937 0.347 . . . . 15.0 111.937 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 55.7 m -58.66 -12.9 4.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.049 0.388 . . . . 15.0 112.049 -178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.46 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 16.4 p30 -153.36 67.18 6.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.645 -0.502 . . . . 15.0 109.645 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.708 ' HG2' ' HB3' ' P' ' 53' ' ' ARG . 15.8 Cg_exo -70.11 65.46 2.0 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.276 2.651 . . . . 15.0 112.786 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.622 ' O ' ' O ' ' P' ' 26' ' ' PRO . 0.2 OUTLIER -130.04 106.21 16.55 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.862 -0.608 . . . . 15.0 109.835 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.622 ' O ' ' O ' ' P' ' 25' ' ' TYR . 10.2 Cg_endo -49.64 -150.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.389 2.06 . . . . 15.0 111.179 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 1.018 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 56.0 m -159.55 168.41 26.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.564 -1.643 . . . . 15.0 106.564 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -46.86 -51.59 16.31 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.156 -0.618 . . . . 15.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -69.76 -34.72 74.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.479 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 1.018 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.79 -58.15 7.71 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 121.288 -0.165 . . . . 15.0 110.874 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.615 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -57.81 -24.0 55.26 Favored 'General case' 0 N--CA 1.461 0.079 0 C-N-CA 120.218 -0.593 . . . . 15.0 110.082 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.499 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 39.5 mt-10 -75.82 -59.12 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.485 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.56 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.21 -50.7 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.192 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.802 HD12 HG11 ' P' ' 45' ' ' VAL . 97.3 mt -53.49 -60.92 2.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.985 0.421 . . . . 15.0 110.349 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.425 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -55.88 -31.34 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.588 . . . . 15.0 112.259 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.529 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.4 OUTLIER -76.09 -46.14 30.46 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.98 0.895 . . . . 15.0 109.54 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.442 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.8 mtpp -67.63 -45.46 75.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.871 -1.513 . . . . 15.0 111.598 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.615 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.4 m -73.9 -52.16 13.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.313 -0.858 . . . . 15.0 112.177 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 18.76 6.02 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.144 -0.782 . . . . 15.0 111.144 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.955 HG21 ' CD1' ' P' ' 8' ' ' PHE . 18.2 pt -108.93 -161.88 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.56 HG22 ' OE1' ' P' ' 44' ' ' GLN . 9.3 t -121.8 146.2 47.31 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.462 -0.94 . . . . 15.0 108.462 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.615 HG13 ' CB ' ' P' ' 31' ' ' LYS . 5.1 t -28.04 -74.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 123.352 0.408 . . . . 15.0 111.681 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.55 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.2 m -42.65 -32.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.509 0.929 . . . . 15.0 113.509 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.56 ' OE1' HG22 ' P' ' 41' ' ' THR . 86.7 mt-30 -66.85 -34.25 77.38 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.317 -0.553 . . . . 15.0 110.367 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.802 HG11 HD12 ' P' ' 34' ' ' LEU . 58.6 t -62.45 -58.4 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.561 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -53.22 -27.26 21.05 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.333 0.587 . . . . 15.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -73.8 -50.91 18.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.237 -0.892 . . . . 15.0 109.258 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.475 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 79.1 t90 -57.61 -58.26 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.433 -0.803 . . . . 15.0 111.02 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.57 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.3 m-85 -48.38 -58.41 4.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.612 -0.722 . . . . 15.0 111.674 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -39.19 -56.73 2.23 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.157 -0.544 . . . . 15.0 113.578 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.405 HD21 ' H62' ' B' ' 19' ' ' ' DA' . 3.8 m120 -69.33 -23.19 63.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.577 0.227 . . . . 15.0 111.508 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' P' ' 20' ' ' PHE . 0.4 OUTLIER -60.19 -45.24 93.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -179.048 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.708 ' HB3' ' HG2' ' P' ' 24' ' ' PRO . 8.6 ptm180 -68.49 -42.2 78.96 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.638 -0.505 . . . . 15.0 109.638 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.978 HG22 ' HE3' ' P' ' 58' ' ' LYS . 18.2 mm -54.4 -51.92 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.203 -1.036 . . . . 15.0 108.203 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' P' ' 55' ' ' ARG . 0.2 OUTLIER -53.3 -40.17 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.731 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.688 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -49.55 -60.21 3.07 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.925 -0.58 . . . . 15.0 111.127 179.475 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.601 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 60.8 mttt -52.27 -18.38 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.352 1.242 . . . . 15.0 114.352 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.978 ' HE3' HG22 ' P' ' 54' ' ' ILE . 1.1 mptm? -70.11 -38.04 75.5 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' P' ' 62' ' ' LYS . 2.5 m120 -139.01 45.34 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 15.0 112.881 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.601 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.8 mm -13.9 -71.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 115.109 1.522 . . . . 15.0 115.109 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.85 -23.77 23.82 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 116.094 -0.503 . . . . 15.0 113.981 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' P' ' 59' ' ' ASN . 60.9 tttm -71.22 -40.06 71.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.058 0.456 . . . . 15.0 110.257 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.637 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 38.5 m-85 -82.6 -23.89 34.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 15.0 111.685 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -57.25 -64.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.166 -0.679 . . . . 15.0 109.166 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.423 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.7 tp10 -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.781 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 54.6 mt-10 -58.95 -52.76 64.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.281 -0.637 . . . . 15.0 109.281 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.745 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.8 -41.18 4.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.348 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -73.29 -39.17 65.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.016 0.436 . . . . 15.0 110.084 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.423 HG13 ' O ' ' P' ' 65' ' ' GLU . 89.7 mt -59.16 -62.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.679 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.529 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 62.3 m-85 -66.48 -24.95 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 15.0 111.483 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -59.36 -56.96 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 15.0 111.352 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.15 -44.94 68.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 15.0 112.136 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.569 ' O ' HG22 ' P' ' 74' ' ' THR . 0.4 OUTLIER -68.96 -169.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.684 -0.235 . . . . 15.0 110.753 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.569 HG22 ' O ' ' P' ' 73' ' ' LYS . 8.8 t 52.53 121.1 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.289 0.566 . . . . 15.0 111.8 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 67.42 12.96 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.555 . . . . 15.0 111.336 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.559 HG13 ' O ' ' P' ' 76' ' ' VAL . 10.5 p -86.08 112.42 22.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.368 -0.378 . . . . 15.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 95.0 m 62.89 -78.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.277 -0.868 . . . . 15.0 111.194 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.566 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.876 0 C4'-C3'-C2' 104.827 1.627 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.818 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.927 1.661 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.818 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-C1' 101.697 -0.717 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.592 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C4'-C3' 106.068 0.468 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.592 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.406 0.757 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.59 ' H72' " H2'" ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 101.296 -1.003 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.5 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.72 0.729 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.687 H2'' ' OP2' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-C2' 107.526 1.297 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.836 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 C3'-C2'-C1' 99.615 -2.204 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.836 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.75 0 C3'-C2'-C1' 104.697 1.426 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.521 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 104.72 1.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.521 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-C2' 106.968 0.789 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.685 " O4'" " H5'" ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 104.873 1.552 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.685 " H5'" " O4'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 P-O3'-C3' 120.326 0.522 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.593 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.553 0 O5'-C5'-C4' 110.845 0.461 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.621 " H1'" " O5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C1'-O4'-C4' 110.599 0.642 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.621 " O5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 OP1-P-O3' 109.737 0.73 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.832 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.183 -1.017 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.832 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 C3'-C2'-C1' 101.867 -0.595 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 1.0 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C4'-C3'-C2' 101.01 -2.19 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 1.0 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.443 0.951 0 C2'-C3'-O3' 114.524 1.453 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.705 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.851 0 C3'-C2'-C1' 105.247 1.819 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.747 " C2'" ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 101.383 -0.941 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.894 ' OP1' ' HB1' ' P' ' 1' ' ' ALA . . . . . . . . 0 C2'--C1' 1.506 -1.084 0 C3'-C2'-C1' 100.733 -1.405 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.733 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C4'-C3' 104.272 -1.328 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.8 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.524 0.58 0 C1'-O4'-C4' 107.456 -1.603 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.681 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-C1' 101.779 -0.658 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.5 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 102.082 -0.441 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.81 0.338 . . . . 15.0 111.14 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.894 ' HB1' ' OP1' ' B' ' 24' ' ' ' DT' . . . -166.82 171.3 11.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.071 0.463 . . . . 15.0 111.32 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.457 ' HB3' ' CZ ' ' P' ' 3' ' ' ARG . 98.3 mtt180 -54.48 -81.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 15.0 112.502 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.631 ' HG3' " H1'" ' A' ' 8' ' ' ' DA' . 0.1 OUTLIER -171.21 168.2 6.8 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.842 -0.343 . . . . 15.0 111.895 -178.446 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.882 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 2.5 tptm -171.8 -77.62 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 113.538 0.94 . . . . 15.0 113.538 178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.832 ' N ' ' HG3' ' P' ' 4' ' ' LYS . 38.5 ttt180 -172.97 15.99 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.005 0.743 . . . . 15.0 113.005 -171.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -81.05 -21.04 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.024 0.44 . . . . 15.0 111.013 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.46 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 51.6 t30 -55.36 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.663 -0.699 . . . . 15.0 112.045 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.886 ' CD2' HG21 ' P' ' 40' ' ' ILE . 12.1 m-85 -62.64 107.33 0.93 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 118.784 0.72 . . . . 15.0 111.17 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -69.58 175.76 3.94 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.866 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.473 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 0.2 OUTLIER -56.51 -21.38 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.334 . . . . 15.0 111.869 -179.375 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' P' ' 14' ' ' GLU . 49.8 tt0 -75.29 -48.17 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 15.0 110.558 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.646 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.23 -43.02 99.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.803 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -56.7 -55.07 38.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.582 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.437 ' HA ' HD21 ' P' ' 17' ' ' ASN . 0.1 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.288 0.566 . . . . 15.0 110.648 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' P' ' 38' ' ' SER . 97.5 mt -71.68 -55.77 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.403 -0.817 . . . . 15.0 112.868 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.646 HD22 ' HE1' ' P' ' 49' ' ' PHE . 74.1 mt -60.89 -43.62 98.24 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.923 0.712 . . . . 15.0 112.923 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.485 ' HB2' ' CE2' ' P' ' 21' ' ' TYR . 17.4 p30 -60.39 -52.87 63.4 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.257 -0.577 . . . . 15.0 111.007 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 48.1 mt-10 -44.78 -36.65 3.32 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.85 0.357 . . . . 15.0 110.826 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.708 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -82.9 -37.45 24.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.395 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.636 ' CZ ' HD22 ' P' ' 23' A LEU . 27.8 t80 -51.83 -51.83 53.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.313 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 66.1 m-85 -58.0 6.64 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.771 -0.65 . . . . 15.0 112.675 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.505 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.9 t -110.62 -21.53 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 15.0 110.846 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' P' ' 23' C ASN . 55.4 m170 -129.54 36.29 4.12 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.342 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.645 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 6.5 mt -45.89 -64.08 0.82 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.311 0.486 . . . . 15.0 112.311 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 54.1 m -60.8 -12.65 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.432 0.53 . . . . 15.0 112.432 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.533 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 15.2 p30 -155.89 70.42 5.21 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.291 . . . . 15.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' O ' ' P' ' 23' A LEU . 73.4 Cg_endo -75.51 83.55 1.88 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.551 2.167 . . . . 15.0 112.879 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' P' ' 23' C ASN . 10.7 m-85 -132.19 82.69 57.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.844 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.778 ' HG3' HG12 ' P' ' 45' ' ' VAL . 61.0 Cg_endo -61.71 94.55 0.13 Allowed 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.955 2.436 . . . . 15.0 111.548 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.466 ' O ' ' O ' ' P' ' 26' ' ' PRO . 55.6 m -37.58 166.42 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.118 -0.946 . . . . 15.0 111.519 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 4.5 mm-40 -44.99 -45.34 10.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.602 -0.727 . . . . 15.0 110.694 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.79 -30.54 64.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.725 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.708 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -66.22 -56.2 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.371 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.898 ' HG3' HG13 ' P' ' 42' ' ' VAL . 2.5 ptmt -61.08 -23.45 65.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.077 -0.511 . . . . 15.0 110.16 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.514 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 86.3 mt-10 -75.59 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 15.0 109.202 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.6 pt-20 -57.85 -46.67 84.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.804 HD12 HG11 ' P' ' 45' ' ' VAL . 94.0 mt -55.26 -60.96 2.67 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.961 -0.563 . . . . 15.0 109.918 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.409 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.51 -31.01 44.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.686 . . . . 15.0 112.242 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.514 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.7 OUTLIER -75.51 -46.62 31.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.92 0.867 . . . . 15.0 109.378 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.1 mtpp -66.05 -46.86 76.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 113.912 -1.495 . . . . 15.0 111.67 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.696 ' HA ' HD12 ' P' ' 15' ' ' ILE . 9.0 p -74.17 -51.79 14.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.182 -0.917 . . . . 15.0 112.549 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.04 6.46 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.206 -0.758 . . . . 15.0 111.206 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.886 HG21 ' CD2' ' P' ' 8' ' ' PHE . 19.0 pt -106.54 -163.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.535 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -120.66 141.93 49.93 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.898 HG13 ' HG3' ' P' ' 31' ' ' LYS . 28.9 t -23.72 -76.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 15.0 111.955 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.446 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.0 m -42.38 -30.26 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.473 0.916 . . . . 15.0 113.473 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.535 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 2.9 mm100 -66.76 -35.95 81.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-O 121.106 0.479 . . . . 15.0 110.152 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.822 HG22 HD11 ' P' ' 40' ' ' ILE . 57.9 t -61.22 -58.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.514 . . . . 15.0 110.56 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -52.95 -29.02 26.39 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.38 0.61 . . . . 15.0 109.88 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -51.82 15.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.049 -0.978 . . . . 15.0 109.355 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 38.4 t90 -57.7 -60.23 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.187 -0.915 . . . . 15.0 111.241 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.646 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.4 m-85 -47.95 -56.62 7.19 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.463 -0.789 . . . . 15.0 111.435 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.534 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -43.25 -45.56 6.46 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.542 -0.837 . . . . 15.0 112.689 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -68.95 -26.65 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 15.0 111.775 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.489 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 3.3 mmmp? -60.23 -47.29 86.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 15.0 111.441 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.754 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 12.0 ptt85 -63.95 -40.25 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 15.0 109.794 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.906 HG22 ' HE3' ' P' ' 58' ' ' LYS . 24.4 mm -55.53 -58.8 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.196 -0.668 . . . . 15.0 109.196 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.48 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 48.7 mmt-85 -49.49 -38.25 29.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.895 0.379 . . . . 15.0 111.052 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 1.018 ' O ' HD13 ' P' ' 60' ' ' ILE . 20.3 t80 -47.2 -60.66 2.33 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.274 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.759 ' HA ' HD11 ' P' ' 60' ' ' ILE . 69.3 mmtt -45.83 -23.28 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.26 0.837 . . . . 15.0 113.26 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.906 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.3 OUTLIER -86.68 -40.29 15.23 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.224 0.453 . . . . 15.0 112.224 -178.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' P' ' 60' ' ' ILE . 62.2 m-20 -137.19 30.91 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.779 1.029 . . . . 15.0 113.779 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 1.018 HD13 ' O ' ' P' ' 56' ' ' TYR . 7.6 mm -13.5 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 114.583 1.327 . . . . 15.0 114.583 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.48 -20.17 3.57 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.49 -0.777 . . . . 15.0 114.562 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 63.7 tttm -75.58 -35.38 60.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.021 0.439 . . . . 15.0 110.144 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 4.5 m-30 -75.13 -32.35 61.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.232 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.18 -65.06 0.71 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.954 0.406 . . . . 15.0 110.444 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.92 -52.19 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' P' ' 69' ' ' ILE . 51.3 mm-40 -55.3 -54.39 44.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' P' ' 63' ' ' PHE . . . -42.99 -40.31 2.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.268 -0.878 . . . . 15.0 110.636 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.75 -35.08 78.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.179 0.514 . . . . 15.0 109.717 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' P' ' 66' ' ' GLU . 62.9 mt -71.15 -45.78 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.397 -0.82 . . . . 15.0 110.642 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.483 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 16.0 m-85 -75.54 -2.72 30.39 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.338 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.47 -57.71 2.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.145 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.37 72.06 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.425 0.528 . . . . 15.0 112.425 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 1.0 ' O ' HG22 ' P' ' 74' ' ' THR . 0.0 OUTLIER -69.01 -145.6 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 121.007 -0.277 . . . . 15.0 110.795 -179.264 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 1.0 HG22 ' O ' ' P' ' 73' ' ' LYS . 1.4 t 80.29 -25.35 0.18 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.385 0.674 . . . . 15.0 111.619 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.8 -3.65 51.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.661 0.267 . . . . 15.0 111.403 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.477 HG22 ' N ' ' P' ' 77' ' ' THR . 9.6 p -84.7 157.86 3.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.849 0.357 . . . . 15.0 111.182 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . 0.477 ' N ' HG22 ' P' ' 76' ' ' VAL . 87.2 m 59.75 98.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.847 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.255 -0.878 . . . . 15.0 111.141 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.6 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.852 0 C4'-C3'-C2' 104.831 1.631 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.742 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.866 1.605 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.742 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 101.739 -0.686 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.626 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C5'-C4'-O4' 108.729 -0.419 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.626 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 103.899 0.699 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.677 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 100.317 -1.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.943 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 C3'-C2'-C1' 105.98 2.343 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.943 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.367 1.152 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.765 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.768 0 C3'-C2'-C1' 99.83 -2.05 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.765 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.828 0 C3'-C2'-C1' 104.666 1.404 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.543 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 107.545 1.313 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.543 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C1'-O4'-C4' 110.484 0.56 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.714 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.569 1.335 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.714 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 P-O3'-C3' 120.387 0.572 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.572 ' N2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 C3'-C2'-C1' 101.917 -0.559 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.572 ' N3 ' ' N2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 106.968 0.789 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.616 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.843 0 C4'-C3'-C2' 105.237 2.037 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.859 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C2'-C3'-O3' 113.919 1.229 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.859 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 P-O3'-C3' 120.572 0.727 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.969 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C4'-C3'-C2' 100.912 -2.288 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.969 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -1.035 0 C4'-C3'-C2' 100.591 -2.609 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.7 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.512 -0.646 0 C4'-C3'-C2' 105.086 1.886 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.7 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.035 0 C1'-O4'-C4' 107.254 -1.747 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.773 " O5'" ' HB1' ' P' ' 1' ' ' ALA . . . . . . . . 0 C2'--C1' 1.512 -0.663 0 C3'-C2'-C1' 100.519 -1.558 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.704 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C4'-C3' 103.897 -1.703 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.704 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.648 0 C3'-C2'-C1' 105.283 1.845 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.655 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C4'-C3'-C2' 104.115 0.915 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.543 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C3'-C2'-C1' 102.094 -0.433 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . 0.572 ' O ' ' HB3' ' P' ' 1' ' ' ALA . 15.5 tpt . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.533 0.206 . . . . 15.0 111.19 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.773 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . 79.61 155.61 0.15 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.46 -0.336 . . . . 15.0 111.3 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.595 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 33.1 mtt-85 -51.68 -92.87 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.102 0.408 . . . . 15.0 112.102 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.543 ' O ' ' HB3' ' P' ' 4' ' ' LYS . 0.1 OUTLIER -176.44 145.86 0.59 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.731 1.011 . . . . 15.0 113.731 -178.729 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.855 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER -179.79 -52.9 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.651 0.612 . . . . 15.0 112.651 174.493 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.855 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 9.6 ptm180 -154.69 156.98 37.4 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.594 -0.442 . . . . 15.0 111.797 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 19.3 ptt85 136.89 -28.43 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.47 -1.241 . . . . 15.0 108.018 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.53 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 9.5 t30 -63.3 -92.33 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.353 -1.294 . . . . 15.0 111.81 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.874 ' CD1' HG21 ' P' ' 40' ' ' ILE . 33.9 m-85 -58.9 107.21 0.5 Allowed 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 121.978 -0.451 . . . . 15.0 111.472 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . 0.413 HD22 ' HA ' ' P' ' 9' ' ' ASN . 0.7 OUTLIER -68.19 171.7 6.72 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 179.167 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -55.78 -20.88 16.53 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 111.907 0.336 . . . . 15.0 111.907 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.601 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 38.1 tt0 -72.44 -47.39 49.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.187 0.518 . . . . 15.0 110.239 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.61 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.88 -43.3 99.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.795 -0.639 . . . . 15.0 111.543 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 62.6 p -54.34 -56.76 15.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.646 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 22.2 pt-20 -53.49 -40.79 65.62 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.181 0.515 . . . . 15.0 111.038 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.438 HD13 ' C ' ' P' ' 37' ' ' LYS . 51.0 mt -70.31 -55.53 14.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.554 -0.748 . . . . 15.0 112.9 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.714 HD22 ' HE1' ' P' ' 49' ' ' PHE . 72.8 mt -59.71 -45.54 91.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.497 0.555 . . . . 15.0 112.497 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' P' ' 13' ' ' THR . 21.2 p30 -60.61 -53.97 50.98 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.4 -0.52 . . . . 15.0 111.752 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.531 ' OE2' HG11 ' P' ' 76' ' ' VAL . 97.2 mt-10 -45.32 -46.0 12.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.68 0.276 . . . . 15.0 111.439 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.415 ' CD2' HD11 ' P' ' 34' ' ' LEU . 17.0 t80 -72.58 -38.23 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 15.0 110.216 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.775 ' CE1' HD21 ' P' ' 23' A LEU . 0.3 OUTLIER -53.26 -50.59 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.679 178.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 75.0 m-85 -57.26 5.41 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.513 ' H ' ' C ' ' P' ' 20' ' ' PHE . 47.5 t -109.56 -21.46 12.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.61 0.243 . . . . 15.0 110.827 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' P' ' 23' C ASN . 63.4 m170 -126.64 37.09 4.36 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.848 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.775 HD21 ' CE1' ' P' ' 20' ' ' PHE . 7.0 mt -44.8 -61.25 1.66 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.866 -0.333 . . . . 15.0 111.324 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 55.0 m -57.77 -8.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.685 0.254 . . . . 15.0 111.685 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.554 ' HB3' ' CZ ' ' P' ' 25' ' ' TYR . 76.7 m-20 -150.05 65.96 7.71 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 109.629 -0.508 . . . . 15.0 109.629 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.64 ' HG2' ' HD3' ' P' ' 53' ' ' ARG . 19.5 Cg_exo -69.92 50.29 0.84 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.363 2.709 . . . . 15.0 114.152 -177.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' P' ' 26' ' ' PRO . 3.0 p90 -133.05 112.03 13.27 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 178.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.757 ' HG3' HG12 ' P' ' 45' ' ' VAL . 5.9 Cg_endo -47.2 -152.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.734 . . . . 15.0 112.935 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.996 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 59.4 m -152.94 170.75 19.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 106.458 -1.682 . . . . 15.0 106.458 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.4 mt-10 -49.32 -53.0 24.24 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 118.523 0.601 . . . . 15.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.34 -33.41 73.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.667 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.996 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -63.01 -55.85 22.12 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.098 -0.241 . . . . 15.0 110.639 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.638 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.64 -24.11 63.59 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.147 -0.621 . . . . 15.0 110.344 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.507 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.7 mt-10 -75.75 -60.31 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.634 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.7 pt-20 -58.56 -48.86 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.291 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.711 HD12 HG11 ' P' ' 45' ' ' VAL . 96.2 mt -55.85 -59.83 4.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.004 0.431 . . . . 15.0 110.561 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -56.43 -31.14 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 15.0 112.265 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.529 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.3 OUTLIER -76.08 -46.41 29.16 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 122.022 0.915 . . . . 15.0 109.266 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.438 ' C ' HD13 ' P' ' 15' ' ' ILE . 51.0 mtpt -67.04 -45.32 77.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.882 -1.508 . . . . 15.0 111.437 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.61 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 25.9 m -74.2 -51.46 15.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.244 -0.889 . . . . 15.0 112.233 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.91 7.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.11 -0.796 . . . . 15.0 111.11 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.874 HG21 ' CD1' ' P' ' 8' ' ' PHE . 25.1 pt -107.04 -162.55 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.485 -0.561 . . . . 15.0 109.485 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.549 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 8.4 t -121.27 144.18 48.76 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.638 HG13 ' CB ' ' P' ' 31' ' ' LYS . 9.5 t -26.73 -74.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.914 0.387 . . . . 15.0 111.689 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.509 ' N ' HG12 ' P' ' 42' ' ' VAL . 52.8 m -42.56 -31.36 0.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.293 0.849 . . . . 15.0 113.293 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.549 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 86.0 mm-40 -66.69 -35.16 79.49 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.487 -0.485 . . . . 15.0 110.314 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.823 HG22 HD11 ' P' ' 40' ' ' ILE . 61.2 t -61.92 -58.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.602 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -53.55 -27.44 26.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.285 0.564 . . . . 15.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.79 -51.13 17.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.215 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 52.3 t90 -57.64 -60.63 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.218 -0.901 . . . . 15.0 111.426 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.714 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.2 m-85 -47.9 -57.95 5.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.843 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.474 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -39.04 -51.71 2.68 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.996 -0.621 . . . . 15.0 113.367 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -67.49 -25.88 66.08 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.062 0.393 . . . . 15.0 112.062 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.522 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 31.2 mmmt -58.04 -49.39 77.03 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.554 0.205 . . . . 15.0 111.554 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 11.6 ptt85 -64.24 -42.04 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 15.0 110.021 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.941 HG22 ' HE3' ' P' ' 58' ' ' LYS . 27.7 mm -54.62 -54.1 25.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.332 -0.618 . . . . 15.0 109.332 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.467 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 46.4 mmm-85 -53.06 -32.3 46.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.987 0.422 . . . . 15.0 110.85 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.849 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 76.7 t80 -52.27 -62.99 1.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.819 -0.628 . . . . 15.0 110.765 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.728 ' HA ' HD11 ' P' ' 60' ' ' ILE . 71.7 mmtt -45.89 -22.03 0.17 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.186 0.81 . . . . 15.0 113.186 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.941 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.2 OUTLIER -87.13 -35.44 18.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.86 0.362 . . . . 15.0 110.648 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.67 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.9 p30 -134.53 31.54 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.728 HD11 ' HA ' ' P' ' 57' ' ' LYS . 39.4 mm -13.37 -69.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 114.894 1.442 . . . . 15.0 114.894 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.65 -19.46 6.54 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 114.653 0.621 . . . . 15.0 114.653 -177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.67 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 59.6 tttp -69.69 -39.64 76.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.767 0.283 . . . . 15.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.757 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 90.3 m-85 -78.0 -24.74 47.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.517 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -57.77 -70.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.437 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -52.09 -46.86 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.78 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 53.8 mt-10 -56.33 -53.8 53.03 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.406 0.622 . . . . 15.0 109.445 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.84 -43.67 6.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.881 -1.054 . . . . 15.0 110.551 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -70.38 -33.96 72.02 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.167 0.508 . . . . 15.0 110.288 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.437 HG13 ' O ' ' P' ' 65' ' ' GLU . 97.9 mt -67.4 -61.84 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.069 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.454 ' CD2' ' CE2' ' P' ' 21' ' ' TYR . 57.9 m-85 -66.27 -29.1 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.586 -0.733 . . . . 15.0 111.708 -178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.25 -57.26 12.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 15.0 110.888 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.77 -27.85 60.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 15.0 111.491 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.496 ' NZ ' ' HB3' ' P' ' 73' ' ' LYS . 8.0 mtpm? -70.25 67.23 0.31 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.377 . . . . 15.0 111.105 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . . . . . . . . . 71.3 p -91.86 -24.71 19.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.982 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.2 7.43 11.25 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.97 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.531 HG11 ' OE2' ' P' ' 18' ' ' GLU . 10.8 p -83.26 137.98 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.811 0.338 . . . . 15.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 87.6 m 60.47 73.03 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.238 -0.887 . . . . 15.0 111.109 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.588 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.941 0 C4'-C3'-C2' 104.904 1.704 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.667 H2'' ' OP2' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.928 1.662 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.667 ' OP2' H2'' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 101.816 -0.631 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.591 ' N4 ' ' N6 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.341 1.129 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.818 ' H2 ' ' HZ1' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 101.707 -0.709 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.513 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 C2'--C1' 1.509 -0.873 0 C3'-C2'-C1' 100.192 -1.791 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.914 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.534 0.901 0 O4'-C4'-C3' 103.994 -1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.914 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.621 0 O3'-P-O5' 105.583 0.833 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.858 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.865 0 C3'-C2'-C1' 99.343 -2.398 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.858 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.529 0.563 0 N19-C1'-C2' 111.789 -1.507 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.526 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.237 1.033 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.489 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.376 0.483 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.493 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.552 1.32 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.493 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-C2' 104.16 0.96 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.445 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O5'-C5'-C4' 110.919 0.513 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.616 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 101.941 -0.542 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.616 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.519 -0.892 0 O4'-C4'-C3' 104.297 -1.303 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.52 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 101.611 -0.778 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.52 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C3'-C2'-C1' 105.329 1.878 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.927 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.806 -2.067 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.927 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.52 -0.838 0 C4'-C3'-C2' 100.961 -2.239 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.873 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.256 0 N19-C1'-C2' 116.851 1.657 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.993 ' C8 ' ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 103.299 -0.369 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 1.034 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 O4'-C1'-N19 109.355 1.943 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.792 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 N19-C1'-C2' 116.083 1.177 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.828 " H3'" ' OP1' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.439 0.595 0 O4'-C1'-C2' 107.687 1.443 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.75 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C4'-C3' 106.273 0.673 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.496 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 102.021 -0.485 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . 0.619 ' HA ' ' HE3' ' P' ' 0' ' ' MET . 2.4 tpt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 121.033 0.444 . . . . 15.0 110.967 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.601 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . -73.72 174.59 8.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.231 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.638 ' HB3' ' CZ ' ' P' ' 3' ' ' ARG . 78.8 mtt-85 -50.91 -91.54 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.336 -0.393 . . . . 15.0 111.479 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.638 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.0 OUTLIER -176.35 166.61 2.8 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.669 -0.412 . . . . 15.0 111.735 -179.335 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 1.034 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.68 -58.9 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.711 0.634 . . . . 15.0 112.711 177.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.815 ' HB2' ' CD ' ' P' ' 4' ' ' LYS . 74.1 mtp180 -164.97 102.33 0.77 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.837 0.351 . . . . 15.0 110.317 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.486 ' HG3' ' C ' ' P' ' 5' ' ' ARG . 43.8 mtp85 -161.17 -41.1 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.66 0.743 . . . . 15.0 109.875 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.501 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 10.3 t30 -54.25 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.234 -178.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.877 ' CD1' HG21 ' P' ' 40' ' ' ILE . 19.0 m-85 -62.69 107.67 1.01 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 118.921 0.782 . . . . 15.0 111.349 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . 0.517 ' O ' HG23 ' P' ' 13' ' ' THR . 5.8 m-20 -69.09 176.67 3.07 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.759 -0.655 . . . . 15.0 110.594 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -58.12 -19.77 35.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 15.0 111.58 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 4.1 tp-100 -75.53 -48.78 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.245 0.545 . . . . 15.0 110.239 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.629 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.92 -40.94 97.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.688 -0.687 . . . . 15.0 111.819 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.517 HG23 ' O ' ' P' ' 9' ' ' ASN . 57.7 p -56.34 -55.31 35.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 15.0 112.036 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 17.7 pt-20 -56.23 -40.23 73.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.336 0.589 . . . . 15.0 110.833 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' P' ' 38' ' ' SER . 75.0 mt -67.78 -56.62 12.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.272 -0.876 . . . . 15.0 112.324 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.56 HD22 ' HE1' ' P' ' 49' ' ' PHE . 75.4 mt -61.46 -46.61 89.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.637 0.606 . . . . 15.0 112.637 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.6 p30 -60.85 -52.22 65.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.326 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.548 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 43.6 mt-10 -46.24 -39.05 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 15.0 111.044 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.641 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -77.19 -41.18 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.173 0.511 . . . . 15.0 110.184 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.58 ' CE2' HD21 ' P' ' 23' A LEU . 5.6 t80 -51.15 -46.25 61.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 15.0 111.731 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 74.0 m-85 -65.8 11.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.933 0.345 . . . . 15.0 111.933 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.479 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.0 m -110.09 -25.49 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 15.0 110.313 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' P' ' 23' C ASN . 56.6 m170 -124.66 37.19 4.45 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.926 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.714 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.2 mt -45.51 -61.78 1.55 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.493 -0.321 . . . . 15.0 111.773 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 79.7 p -59.56 -14.25 12.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.426 0.528 . . . . 15.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.527 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 75.6 m-80 -161.07 69.59 2.58 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 120.633 0.254 . . . . 15.0 110.37 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.714 ' HD3' ' O ' ' P' ' 23' A LEU . 67.1 Cg_endo -74.29 80.96 2.11 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.569 2.18 . . . . 15.0 112.596 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.51 ' CE1' " H3'" ' B' ' 17' ' ' ' DG' . 10.8 m-85 -125.12 90.33 51.14 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.652 -0.704 . . . . 15.0 109.923 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.836 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.4 Cg_endo -64.19 92.08 0.18 Allowed 'Trans proline' 0 CA--C 1.51 -0.696 0 C-N-CA 122.469 2.113 . . . . 15.0 110.657 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.432 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 51.4 m -39.36 166.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.342 -0.845 . . . . 15.0 111.274 -179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.507 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 50.4 mt-10 -43.99 -45.31 7.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.425 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.84 -35.23 72.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.745 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -63.2 -57.82 9.24 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.772 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.93 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -59.65 -22.95 62.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 15.0 110.125 178.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.522 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 34.5 mt-10 -75.82 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.132 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.6 pt-20 -59.07 -49.42 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.5 -0.556 . . . . 15.0 109.5 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.741 HD12 HG11 ' P' ' 45' ' ' VAL . 95.9 mt -52.28 -61.34 2.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.93 0.395 . . . . 15.0 110.142 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.3 -30.93 52.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.021 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.6 OUTLIER -75.8 -44.38 41.58 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.976 0.894 . . . . 15.0 109.31 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' P' ' 15' ' ' ILE . 25.1 mtpp -68.87 -45.97 69.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.884 -1.507 . . . . 15.0 111.616 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.629 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 34.6 m -73.62 -52.02 14.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.422 -0.808 . . . . 15.0 112.406 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.92 20.77 5.91 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.027 -0.829 . . . . 15.0 111.027 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' P' ' 8' ' ' PHE . 21.7 pt -108.05 -162.89 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.548 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 8.8 t -119.38 141.42 49.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.445 -0.946 . . . . 15.0 108.445 177.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.93 HG13 ' HG3' ' P' ' 31' ' ' LYS . 15.5 t -24.13 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.376 0.423 . . . . 15.0 111.604 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.529 ' N ' HG12 ' P' ' 42' ' ' VAL . 52.6 m -42.01 -30.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.355 0.872 . . . . 15.0 113.355 -178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.548 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 83.5 mm-40 -66.97 -33.83 76.43 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.403 -0.519 . . . . 15.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.874 HG22 HD11 ' P' ' 40' ' ' ILE . 60.2 t -64.46 -60.29 2.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.559 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -51.8 -26.98 10.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.338 0.59 . . . . 15.0 110.057 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -50.58 19.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.365 178.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.545 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 74.2 t90 -57.64 -59.58 4.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.493 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.56 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.8 m-85 -48.14 -58.82 3.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.44 -0.8 . . . . 15.0 111.83 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.484 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -38.93 -53.4 2.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.047 -0.597 . . . . 15.0 113.307 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -74.22 -23.15 59.14 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.63 0.233 . . . . 15.0 111.63 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.484 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 53.4 tptt -59.06 -42.87 91.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 15.0 110.981 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.649 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 15.7 ptt85 -71.1 -42.3 69.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.602 -0.518 . . . . 15.0 109.602 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.878 HG22 ' HE2' ' P' ' 58' ' ' LYS . 37.4 mm -54.68 -52.78 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 107.746 -1.205 . . . . 15.0 107.746 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.408 ' HG2' ' HZ ' ' P' ' 63' ' ' PHE . 34.9 ttm180 -51.35 -41.65 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.242 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.715 ' HA ' ' CE2' ' P' ' 63' ' ' PHE . 1.2 t80 -51.39 -59.92 3.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.714 -0.676 . . . . 15.0 111.013 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.495 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 75.2 mmtt -46.88 -18.17 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.944 1.09 . . . . 15.0 113.944 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.878 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.3 mptp? -75.6 -37.55 59.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.919 0.39 . . . . 15.0 110.363 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' P' ' 62' ' ' LYS . 49.6 m-80 -138.24 43.05 2.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.065 0.765 . . . . 15.0 113.065 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.495 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.5 mm -13.59 -71.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 115.056 1.502 . . . . 15.0 115.056 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.15 -22.61 29.7 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 116.044 -0.525 . . . . 15.0 114.308 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.2 tttm -74.02 -37.64 64.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 15.0 110.329 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.715 ' CE2' ' HA ' ' P' ' 56' ' ' TYR . 86.8 m-85 -79.83 -32.77 40.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 15.0 111.599 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.474 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 85.2 mt-30 -53.93 -61.66 2.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.601 -0.518 . . . . 15.0 109.601 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.478 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.6 tt0 -52.12 -45.01 64.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.709 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 51.2 mt-10 -57.01 -51.62 68.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.028 -0.731 . . . . 15.0 109.028 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.42 -41.44 4.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.509 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -74.93 -33.59 61.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.501 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.478 HG13 ' O ' ' P' ' 65' ' ' GLU . 81.7 mt -64.83 -55.03 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.098 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.492 ' HA ' ' HD3' ' P' ' 73' ' ' LYS . 29.8 m-85 -66.23 -16.91 64.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.948 0.404 . . . . 15.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.75 -58.07 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.191 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.89 -38.94 87.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.087 0.773 . . . . 15.0 113.087 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.8 ' O ' HG22 ' P' ' 74' ' ' THR . 0.0 OUTLIER -68.82 -106.82 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.201 0.445 . . . . 15.0 112.201 -178.654 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.8 HG22 ' O ' ' P' ' 73' ' ' LYS . 12.8 t 57.99 146.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.041 0.448 . . . . 15.0 110.888 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 73.6 -77.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.1 -0.5 . . . . 15.0 110.525 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.596 HG22 HG22 ' P' ' 77' ' ' THR . 4.3 p 43.27 94.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.208 -0.451 . . . . 15.0 112.062 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . 0.596 HG22 HG22 ' P' ' 76' ' ' VAL . 9.8 t 46.97 54.19 9.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.948 -0.569 . . . . 15.0 111.428 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.269 -0.872 . . . . 15.0 111.117 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.584 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.926 0 C4'-C3'-C2' 104.806 1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.806 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 107.881 1.619 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.806 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 101.476 -0.874 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.646 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C3'-C2'-C1' 102.057 -0.459 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.646 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-C2' 103.804 0.604 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.465 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C4'-C3'-C2' 102.173 -1.027 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.874 " H1'" ' O ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 105.073 1.695 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.705 " C2'" ' H72' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.081 0.892 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.774 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.032 0 C3'-C2'-C1' 99.565 -2.239 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.774 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.717 0 C3'-C2'-C1' 104.63 1.379 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.553 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 107.559 1.326 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.553 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.507 0.576 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.654 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C3'-C2'-C1' 104.784 1.489 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.654 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 P-O3'-C3' 120.28 0.484 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.541 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 O5'-C5'-C4' 110.942 0.53 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.541 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C3'-C2'-C1' 101.988 -0.508 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.57 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 105.053 1.68 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.909 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.406 -1.067 0 C1'-O4'-C4' 107.105 -1.854 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.909 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-C2' 104.343 1.143 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.976 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 C3'-C2'-C1' 99.505 -2.282 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.976 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -1.002 0 C4'-C3'-C2' 100.77 -2.43 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.78 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.96 0 C4'-C3'-C2' 105.331 2.131 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.78 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 O4'-C1'-C2' 104.441 -1.508 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 1.029 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-N19 109.048 1.56 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.713 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C4'-C3' 104.177 -1.423 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.713 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.438 0.538 0 C3'-C2'-C1' 104.934 1.596 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.65 " H5'" " O4'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C4'-C3' 106.238 0.638 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.507 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 101.977 -0.517 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . 0.583 ' HA ' ' HE3' ' P' ' 0' ' ' MET . 2.6 tpt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.983 0.42 . . . . 15.0 110.988 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.809 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . -73.32 171.68 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 15.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.577 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 64.6 mtt-85 -51.53 -92.01 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.424 -0.353 . . . . 15.0 111.224 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.563 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.0 OUTLIER -175.71 170.79 2.82 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.457 -0.497 . . . . 15.0 112.105 179.465 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 1.029 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.38 -49.29 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 115.756 -0.656 . . . . 15.0 111.064 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.908 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 12.0 mtp-105 -161.08 -122.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 15.0 109.458 -178.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER 44.92 5.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.736 0.643 . . . . 15.0 112.736 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.638 ' H ' ' C ' ' P' ' 5' ' ' ARG . 44.0 t30 -87.13 -83.81 0.19 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.986 -1.007 . . . . 15.0 109.886 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.624 ' CE2' ' HB2' ' P' ' 48' ' ' TRP . 1.2 m-30 -85.17 117.35 24.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.882 -0.414 . . . . 15.0 109.882 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -70.93 173.89 6.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.042 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -54.92 -26.85 38.87 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.766 0.317 . . . . 15.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.633 ' O ' HD12 ' P' ' 15' ' ' ILE . 3.9 tp-100 -68.29 -49.07 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 15.0 109.888 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.648 ' CB ' ' HB2' ' P' ' 38' ' ' SER . . . -63.64 -48.16 78.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.516 -0.766 . . . . 15.0 111.351 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 73.4 p -53.16 -57.31 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 15.0 111.568 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.6 pt-20 -53.93 -40.69 66.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.276 0.56 . . . . 15.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.633 HD12 ' O ' ' P' ' 11' ' ' GLN . 37.4 mt -67.72 -54.45 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.507 -0.77 . . . . 15.0 111.989 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.718 HD22 ' HE1' ' P' ' 49' ' ' PHE . 80.6 mt -63.07 -48.92 76.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.536 0.569 . . . . 15.0 112.536 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.4 p30 -60.97 -53.11 61.29 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.372 -0.531 . . . . 15.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.503 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.9 mt-10 -47.32 -37.36 10.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.742 0.306 . . . . 15.0 111.025 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.4 ' OH ' ' CE1' ' P' ' 23' ' ' HIS . 19.4 t80 -82.93 -37.69 23.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.988 0.423 . . . . 15.0 109.919 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' P' ' 23' A LEU . 25.2 t80 -49.47 -48.92 47.38 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.73 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' P' ' 17' ' ' ASN . 71.4 m-85 -59.86 7.6 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.849 -0.614 . . . . 15.0 112.485 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.506 ' H ' ' C ' ' P' ' 20' ' ' PHE . 52.5 m -113.7 -23.47 9.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.7 0.286 . . . . 15.0 110.557 179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.435 ' HB3' ' OD1' ' P' ' 23' C ASN . 46.4 m170 -120.32 33.69 5.5 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.29 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.616 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.5 mt -47.13 -62.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.301 -0.408 . . . . 15.0 111.57 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.3 t -59.23 -14.81 12.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 15.0 112.031 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.509 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 12.0 p30 -142.25 72.59 21.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.072 0.463 . . . . 15.0 110.365 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' O ' ' P' ' 23' A LEU . 45.8 Cg_endo -66.23 63.94 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.355 2.703 . . . . 15.0 113.713 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' P' ' 23' C ASN . 0.1 OUTLIER -154.21 99.3 2.51 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.331 -0.618 . . . . 15.0 109.331 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.788 ' HG3' HG12 ' P' ' 45' ' ' VAL . 95.6 Cg_endo -71.67 116.44 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.348 2.699 . . . . 15.0 113.239 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . . . . . . . . . 47.6 t -37.03 158.45 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.11 -0.95 . . . . 15.0 111.083 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.524 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -45.69 -42.7 11.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.716 -0.674 . . . . 15.0 110.82 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -75.73 -24.79 56.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.872 0.368 . . . . 15.0 110.753 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' P' ' 34' ' ' LEU . . . -67.85 -55.22 13.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.099 -0.5 . . . . 15.0 109.844 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.96 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -61.29 -21.74 64.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 15.0 110.205 178.477 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 89.0 mt-10 -75.43 -60.2 2.41 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.07 -0.715 . . . . 15.0 109.07 177.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.61 -46.16 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.263 -0.643 . . . . 15.0 109.263 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.704 HD12 HG11 ' P' ' 45' ' ' VAL . 96.4 mt -55.8 -61.27 2.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.11 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.54 -29.61 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 15.0 112.408 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' P' ' 32' ' ' GLU . 0.8 OUTLIER -75.34 -46.72 31.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.014 0.912 . . . . 15.0 108.652 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.47 ' HE3' HG23 ' P' ' 15' ' ' ILE . 26.1 mtpp -64.83 -50.48 66.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.842 -1.526 . . . . 15.0 110.426 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.648 ' HB2' ' CB ' ' P' ' 12' ' ' ALA . 36.5 p -74.05 -53.0 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.904 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.32 5.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 15.0 112.169 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.956 HD11 HG22 ' P' ' 45' ' ' VAL . 4.3 pt -101.56 -168.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.464 0.173 . . . . 15.0 110.695 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.522 ' O ' ' N ' ' P' ' 43' ' ' SER . 5.1 t -108.56 84.84 2.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.589 0.233 . . . . 15.0 110.773 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.96 HG13 ' HG3' ' P' ' 31' ' ' LYS . 16.4 t 19.59 -81.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 124.195 0.934 . . . . 15.0 112.066 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.601 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.6 m -45.49 -23.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.336 -0.393 . . . . 15.0 111.906 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.448 ' HG3' ' CZ ' ' P' ' 8' ' ' PHE . 5.2 tp60 -67.2 -36.12 81.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.956 HG22 HD11 ' P' ' 40' ' ' ILE . 60.1 t -59.06 -56.82 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 114.946 -1.024 . . . . 15.0 110.16 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.7 t -56.12 -27.84 55.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.468 0.651 . . . . 15.0 110.052 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' P' ' 44' ' ' GLN . 3.9 m120 -73.34 -52.13 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.829 -1.078 . . . . 15.0 109.479 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.624 ' HB2' ' CE2' ' P' ' 8' ' ' PHE . 83.8 t90 -57.95 -53.56 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.306 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.718 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.8 m-85 -47.84 -53.02 16.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.45 -0.796 . . . . 15.0 111.19 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -54.09 -33.19 50.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.983 -1.103 . . . . 15.0 111.319 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.519 HD21 ' H62' ' A' ' 8' ' ' ' DA' . 20.0 t-20 -77.49 -37.11 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 15.0 110.813 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.504 ' HG3' ' CD2' ' P' ' 20' ' ' PHE . 27.8 tptp -60.3 -31.38 70.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 15.0 111.693 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.2 ptm180 -73.71 -38.09 64.95 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.099 -0.704 . . . . 15.0 109.099 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.917 HG22 ' HE2' ' P' ' 58' ' ' LYS . 7.7 mm -55.07 -56.7 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.51 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -49.87 -39.91 40.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.893 0.377 . . . . 15.0 110.717 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.674 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.3 t80 -51.49 -60.6 2.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.079 -0.51 . . . . 15.0 110.756 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.56 ' HA ' HD11 ' P' ' 60' ' ' ILE . 75.0 mmtt -47.07 -19.03 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.202 1.186 . . . . 15.0 114.202 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.917 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.2 mptp? -75.3 -38.54 60.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.922 0.391 . . . . 15.0 110.635 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' P' ' 62' ' ' LYS . 47.5 m-20 -139.32 42.93 2.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.882 0.697 . . . . 15.0 112.882 -178.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' P' ' 57' ' ' LYS . 45.2 mm -13.58 -71.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 114.914 1.45 . . . . 15.0 114.914 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.46 -25.03 26.02 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 116.153 -0.476 . . . . 15.0 113.626 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' P' ' 59' ' ' ASN . 7.4 tmtm? -71.19 -39.89 71.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.608 -0.516 . . . . 15.0 109.608 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.674 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 44.2 m-85 -79.54 -31.16 42.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 15.0 111.617 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.5 mt-30 -51.48 -64.4 0.83 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.437 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.4 tt0 -51.93 -44.07 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.616 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' P' ' 62' ' ' LYS . 55.2 mt-10 -57.04 -52.01 66.97 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.621 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.14 -40.41 3.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.926 -1.033 . . . . 15.0 110.759 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -73.76 -35.02 64.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 15.0 110.343 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.437 HG13 ' O ' ' P' ' 65' ' ' GLU . 77.2 mt -66.62 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.804 -0.634 . . . . 15.0 111.025 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.446 ' HA ' ' CG ' ' P' ' 73' ' ' LYS . 10.5 m-85 -76.35 -25.94 55.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.2 -57.41 12.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 15.0 111.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.44 -48.06 69.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.883 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.756 ' O ' HG22 ' P' ' 74' ' ' THR . 0.2 OUTLIER -68.92 -117.54 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.616 -0.265 . . . . 15.0 111.208 -179.601 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.756 HG22 ' O ' ' P' ' 73' ' ' LYS . 14.2 t 56.13 149.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.125 0.488 . . . . 15.0 111.432 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 73.02 7.67 5.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.425 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.632 HG13 ' O ' ' P' ' 76' ' ' VAL . 8.1 p -86.17 78.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.943 0.402 . . . . 15.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 87.0 m -146.24 98.19 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 15.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.182 -0.913 . . . . 15.0 111.103 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.589 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C4'-C3'-C2' 104.839 1.639 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.78 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.95 1.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.78 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 101.519 -0.843 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.619 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C1'-O4'-C4' 110.342 0.459 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.619 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C4'-C3'-C2' 104.004 0.804 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.611 ' O2 ' ' HE2' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C3'-C2'-C1' 99.688 -2.151 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.768 " C2'" ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 106.075 2.411 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.768 ' C8 ' " C2'" ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C4'-C3'-C2' 104.377 1.177 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.775 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.455 0.84 0 C3'-C2'-C1' 99.925 -1.982 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.775 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.874 0 C3'-C2'-C1' 104.531 1.308 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.52 " H5'" " H1'" ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.52 1.291 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.449 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 103.971 0.771 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.63 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 104.7 1.428 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.63 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C5'-C4'-O4' 108.534 -0.541 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.527 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O5'-C5'-C4' 110.889 0.492 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.643 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 101.811 -0.635 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.643 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.547 1.315 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.676 H2'' HD12 ' P' ' 54' ' ' ILE . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 O4'-C1'-C2' 107.026 0.841 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.509 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C3'-C2'-C1' 101.488 -0.866 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.805 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C3'-C2'-C1' 99.822 -2.056 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.805 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.519 -0.883 0 C4'-C3'-C2' 100.733 -2.467 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.75 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.896 0 C4'-C3'-C2' 105.427 2.227 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.84 ' C8 ' ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 104.716 -1.258 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 1.081 ' O2 ' ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 100.551 -1.535 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.721 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C4'-C3' 103.918 -1.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.721 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.604 0 C3'-C2'-C1' 104.926 1.59 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.653 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 C4'-C3'-C2' 103.902 0.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.527 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C3'-C2'-C1' 101.947 -0.538 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . 0.553 ' O ' ' HB3' ' P' ' 1' ' ' ALA . 25.3 ptm . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.64 0.257 . . . . 15.0 111.37 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.865 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . 78.78 168.84 0.2 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.369 -0.378 . . . . 15.0 111.34 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.576 ' HB3' ' CZ ' ' P' ' 3' ' ' ARG . 88.8 mtt180 -52.91 -95.64 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.019 -0.537 . . . . 15.0 112.276 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.576 ' CZ ' ' HB3' ' P' ' 2' ' ' ARG . 0.0 OUTLIER -163.13 154.93 17.75 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.614 -0.434 . . . . 15.0 112.006 -179.235 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 1.081 ' HG2' ' O2 ' ' B' ' 24' ' ' ' DT' . 2.5 tptp -177.32 -64.58 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 120.97 0.414 . . . . 15.0 110.939 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.652 ' HD2' ' CE ' ' P' ' 4' ' ' LYS . 3.1 mtt-85 -157.32 138.51 13.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.403 -0.817 . . . . 15.0 111.711 -176.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.486 ' HB3' ' O ' ' P' ' 5' ' ' ARG . 14.7 ptm180 157.87 -28.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.107 -0.951 . . . . 15.0 109.175 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 19.1 t30 -66.06 -98.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.074 -0.966 . . . . 15.0 111.195 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.859 ' CD1' HG21 ' P' ' 40' ' ' ILE . 12.5 m-85 -56.17 100.35 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 118.575 0.625 . . . . 15.0 111.093 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -64.79 170.76 3.9 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.453 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -52.2 -21.23 3.17 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.753 0.311 . . . . 15.0 111.482 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.609 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 50.7 tt0 -77.93 -45.43 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.138 0.494 . . . . 15.0 110.268 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.635 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -63.62 -43.38 97.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 15.0 112.051 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 70.6 p -57.6 -55.22 37.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.706 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.5 pt-20 -52.36 -40.36 61.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.449 0.642 . . . . 15.0 110.844 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' P' ' 38' ' ' SER . 75.1 mt -69.61 -55.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.109 -0.951 . . . . 15.0 113.104 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.483 HD22 HG13 ' P' ' 45' ' ' VAL . 89.2 mt -60.08 -47.51 85.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.81 0.67 . . . . 15.0 112.81 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.557 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 23.1 p30 -60.98 -52.32 65.52 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.307 -0.557 . . . . 15.0 111.319 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.903 ' HB3' HG22 ' P' ' 74' ' ' THR . 47.9 mt-10 -46.36 -39.8 10.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.751 0.31 . . . . 15.0 110.918 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.721 ' CD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -77.93 -39.96 41.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.108 0.48 . . . . 15.0 110.166 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.552 ' CE2' HD21 ' P' ' 23' A LEU . 5.6 t80 -51.83 -51.36 57.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.055 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.492 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 66.5 m-85 -59.08 5.4 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.487 0.551 . . . . 15.0 112.487 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.493 ' H ' ' C ' ' P' ' 20' ' ' PHE . 49.2 m -108.88 -23.64 11.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.646 0.26 . . . . 15.0 110.53 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' P' ' 23' C ASN . 59.1 m170 -125.89 38.4 4.16 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.134 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.678 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 7.5 mt -45.79 -63.48 0.96 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.11 0.411 . . . . 15.0 112.11 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 56.3 m -58.99 -13.48 6.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.21 0.448 . . . . 15.0 112.21 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.505 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 15.9 p-10 -157.89 72.07 4.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.689 0.28 . . . . 15.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.678 ' HD3' ' O ' ' P' ' 23' A LEU . 58.7 Cg_endo -72.43 81.43 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.475 2.117 . . . . 15.0 112.059 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' P' ' 23' C ASN . 18.9 m-85 -128.62 89.0 50.6 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.85 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 72.2 Cg_endo -65.16 89.61 0.2 Allowed 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 122.67 2.247 . . . . 15.0 111.032 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.508 ' O ' ' O ' ' P' ' 26' ' ' PRO . 55.9 m -35.52 166.36 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.968 0.793 . . . . 15.0 111.609 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.2 mt-10 -44.35 -45.8 9.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.483 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -30.33 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.583 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.807 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -67.15 -57.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.217 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.949 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.45 -22.99 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.148 0.499 . . . . 15.0 109.795 178.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.0 mt-10 -75.87 -60.67 2.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.455 -0.793 . . . . 15.0 109.337 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.7 pt-20 -59.59 -47.58 85.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.748 HD13 ' HE2' ' P' ' 49' ' ' PHE . 96.5 mt -53.54 -61.5 2.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.95 -0.568 . . . . 15.0 110.074 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.42 ' HA ' HG13 ' P' ' 40' ' ' ILE . . . -56.21 -29.43 60.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 15.0 112.105 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.525 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.1 -47.14 25.61 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.107 0.956 . . . . 15.0 109.273 179.328 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.447 ' C ' HD13 ' P' ' 15' ' ' ILE . 25.0 mtpp -67.47 -44.62 78.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.751 -1.568 . . . . 15.0 111.389 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.667 ' HA ' HD12 ' P' ' 15' ' ' ILE . 46.6 m -73.89 -54.09 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.383 -0.826 . . . . 15.0 112.471 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.43 15.83 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.43 -0.668 . . . . 15.0 111.43 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.907 HD11 HG22 ' P' ' 45' ' ' VAL . 12.2 pt -104.4 -166.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.559 ' O ' ' N ' ' P' ' 44' ' ' GLN . 9.6 t -116.81 137.55 52.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.63 -0.878 . . . . 15.0 108.63 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.949 HG13 ' HG3' ' P' ' 31' ' ' LYS . 32.2 t -21.46 -78.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.066 0.395 . . . . 15.0 112.066 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.499 ' N ' HG12 ' P' ' 42' ' ' VAL . 46.2 m -43.16 -29.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 15.0 112.396 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.6 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 52.1 tp60 -67.06 -37.8 84.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.134 0.492 . . . . 15.0 110.003 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.907 HG22 HD11 ' P' ' 40' ' ' ILE . 74.9 t -60.04 -55.35 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.821 -0.627 . . . . 15.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.97 -22.16 24.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.234 0.54 . . . . 15.0 110.685 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -74.05 -50.29 20.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.361 -0.836 . . . . 15.0 109.848 178.512 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.527 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 76.6 t90 -57.5 -63.31 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.209 -0.905 . . . . 15.0 112.213 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.748 ' HE2' HD13 ' P' ' 34' ' ' LEU . 47.5 m-85 -47.72 -56.7 6.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.233 -0.894 . . . . 15.0 112.303 -178.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -43.55 -47.65 7.22 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.557 -0.83 . . . . 15.0 112.442 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.494 ' HA ' HG12 ' P' ' 54' ' ' ILE . 48.2 t30 -73.69 -30.59 62.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 15.0 111.053 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.431 ' HG3' ' CE1' ' P' ' 20' ' ' PHE . 21.4 tptm -60.26 -43.78 95.87 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.334 -0.394 . . . . 15.0 112.046 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.89 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 7.5 ptm180 -65.38 -40.01 92.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.094 -0.706 . . . . 15.0 109.094 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.895 HG22 ' HE3' ' P' ' 58' ' ' LYS . 4.5 mm -53.42 -54.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.322 -0.621 . . . . 15.0 109.322 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.477 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 67.2 mtp180 -51.55 -31.64 25.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.794 0.33 . . . . 15.0 111.257 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.89 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.4 OUTLIER -50.6 -63.46 1.12 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.637 0.732 . . . . 15.0 110.475 179.002 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.567 ' HA ' HD11 ' P' ' 60' ' ' ILE . 70.9 mmtt -47.54 -22.21 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.59 -1.186 . . . . 15.0 113.488 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.895 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.6 OUTLIER -77.78 -40.12 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.005 0.431 . . . . 15.0 110.55 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' P' ' 60' ' ' ILE . 59.2 m-20 -133.89 41.24 3.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.941 0.719 . . . . 15.0 112.941 -178.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.613 HG23 ' HE1' ' P' ' 56' ' ' TYR . 41.3 mm -13.8 -72.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 114.834 1.42 . . . . 15.0 114.834 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.58 -23.9 45.06 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 114.543 0.577 . . . . 15.0 114.543 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' P' ' 59' ' ' ASN . 61.0 tttm -70.57 -41.07 72.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.26 0.552 . . . . 15.0 110.193 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.804 ' CD2' ' HA ' ' P' ' 56' ' ' TYR . 88.9 m-85 -77.35 -32.62 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.874 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 85.9 mt-30 -53.9 -63.77 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.871 0.367 . . . . 15.0 110.327 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.401 ' O ' HG13 ' P' ' 69' ' ' ILE . 39.4 tt0 -51.42 -44.25 62.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.769 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.85 -50.94 72.1 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.572 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.81 -42.98 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.908 -1.042 . . . . 15.0 110.536 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.36 -35.91 68.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.064 0.459 . . . . 15.0 110.387 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.401 HG13 ' O ' ' P' ' 65' ' ' GLU . 84.6 mt -63.22 -61.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.944 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.778 ' O ' HG23 ' P' ' 74' ' ' THR . 62.1 m-85 -66.26 -30.37 70.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.888 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -57.82 -57.45 12.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 15.0 111.253 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.22 -47.66 68.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 15.0 112.051 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.462 ' O ' ' OG1' ' P' ' 74' ' ' THR . 17.6 ptmt -68.86 -112.88 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.55 -0.296 . . . . 15.0 111.469 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.903 HG22 ' HB3' ' P' ' 18' ' ' GLU . 42.8 p 62.13 138.32 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.015 0.436 . . . . 15.0 110.93 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 70.71 11.42 7.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.557 . . . . 15.0 111.311 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 9.8 p -85.92 -22.41 7.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.285 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 8.5 t -93.13 -28.27 16.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.452 -0.34 . . . . 15.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.252 -0.88 . . . . 15.0 111.084 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.587 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.936 0 C4'-C3'-C2' 104.824 1.624 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.826 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.896 1.633 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.826 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 101.568 -0.809 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.667 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 102.198 -0.359 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.667 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-C2' 103.71 0.51 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.746 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 100.646 -1.467 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.82 " H1'" ' O ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C3'-C2'-C1' 105.014 1.653 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.816 " H2'" ' H72' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O4'-C1'-C2' 107.033 0.849 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.816 ' H72' " H2'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.983 0 C3'-C2'-C1' 99.447 -2.324 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.687 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.53 0.651 0 C3'-C2'-C1' 104.717 1.441 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.554 ' OP2' H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.5 0.572 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.788 " H1'" ' OP1' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 102.342 -0.858 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.788 ' OP1' " H1'" ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.608 1.371 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.536 " O5'" " H4'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C4'-C3'-C2' 104.193 0.993 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.574 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 O4'-C1'-C2' 106.816 0.651 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.574 ' N3 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 106.796 0.633 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.55 H2'' ' OP2' ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.422 0.515 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.807 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C4'-C3'-C2' 102.148 -1.052 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.807 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 C3'-C2'-C1' 101.771 -0.663 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.982 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 101.022 -2.178 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.982 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.535 1.03 0 C2'-C3'-O3' 114.672 1.508 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.738 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.407 -1.033 0 C4'-C3'-C2' 105.097 1.897 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.678 " C2'" ' H71' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C3'-C2'-C1' 101.09 -1.15 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.98 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.829 0 O4'-C1'-N19 109.271 1.838 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.736 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C4'-C3' 103.642 -1.958 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.736 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.523 0.525 0 C3'-C2'-C1' 104.939 1.599 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.637 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C4'-C3' 106.177 0.577 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.499 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.172 0.465 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.795 0.331 . . . . 15.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.912 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . -72.55 155.78 39.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -51.85 -82.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.773 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.531 ' CG ' " H1'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -176.64 175.78 1.65 Allowed 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.42 -0.112 . . . . 15.0 110.823 -179.169 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.98 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.74 -44.26 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.3 0.852 . . . . 15.0 113.3 179.207 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.913 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 25.9 mtp85 -164.54 -40.55 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.658 0.266 . . . . 15.0 111.09 -177.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -28.94 -34.38 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.471 -0.786 . . . . 15.0 112.29 -178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.547 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 64.6 t30 -56.14 -95.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.785 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.569 ' CD2' HG21 ' P' ' 40' ' ' ILE . 4.2 m-85 -67.79 107.46 2.61 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 118.696 0.68 . . . . 15.0 111.867 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' P' ' 10' ' ' LYS . 24.9 t-20 -63.28 167.35 5.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.619 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.493 ' N ' ' OD1' ' P' ' 9' ' ' ASN . 64.0 mttp -56.61 -23.5 41.4 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.093 0.473 . . . . 15.0 110.594 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 51.4 tt0 -70.82 -48.11 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.256 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.609 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -61.91 -36.86 82.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.417 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 75.2 p -61.31 -54.27 46.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 15.0 111.844 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 18.6 pt-20 -57.0 -44.17 82.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.313 0.578 . . . . 15.0 110.64 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.462 HG23 ' HE3' ' P' ' 37' ' ' LYS . 52.8 mt -59.88 -61.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.104 -0.953 . . . . 15.0 111.882 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.66 HD22 ' HE1' ' P' ' 49' ' ' PHE . 55.2 mt -58.04 -45.68 86.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.458 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.487 ' HB3' ' HE1' ' P' ' 21' ' ' TYR . 42.9 m-20 -48.05 -64.73 0.71 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.77 0.319 . . . . 15.0 111.244 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' P' ' 70' ' ' TYR . 51.8 mt-10 -39.82 -42.1 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.826 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.681 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.9 t80 -79.74 -35.65 38.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.525 ' CZ ' ' CD2' ' P' ' 23' A LEU . 19.3 t80 -53.08 -51.7 60.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.621 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.491 ' CE1' ' CD2' ' P' ' 70' ' ' TYR . 42.1 m-85 -63.97 10.64 0.05 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.315 0.487 . . . . 15.0 112.315 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.481 ' H ' ' C ' ' P' ' 20' ' ' PHE . 45.1 t -109.65 -22.96 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 15.0 110.064 178.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' P' ' 23' C ASN . 47.5 m170 -126.72 34.8 4.73 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.071 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.726 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 5.6 mt -45.88 -61.74 1.61 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.059 0.392 . . . . 15.0 112.059 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 53.7 m -58.37 -13.45 5.36 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.847 0.314 . . . . 15.0 111.847 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.588 ' HB2' ' CZ ' ' P' ' 25' ' ' TYR . 5.4 p30 -142.94 71.71 18.87 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.499 -0.926 . . . . 15.0 108.499 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.726 ' HD3' ' O ' ' P' ' 23' A LEU . 37.7 Cg_endo -70.43 67.26 2.14 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.89 2.393 . . . . 15.0 113.746 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.588 ' CZ ' ' HB2' ' P' ' 23' C ASN . 8.1 p90 -153.34 120.56 2.98 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.959 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.612 ' HG3' HG12 ' P' ' 45' ' ' VAL . 17.9 Cg_endo -54.96 -152.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.271 2.647 . . . . 15.0 112.492 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 1.011 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 53.6 m -147.27 169.45 19.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.999 -1.852 . . . . 15.0 105.999 178.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 12.1 pt-20 -49.61 -52.47 30.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 118.965 0.802 . . . . 15.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' P' ' 28' ' ' GLU . 16.7 pt-20 -70.39 -30.75 67.72 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.737 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 1.011 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -66.39 -56.7 9.78 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.708 -0.224 . . . . 15.0 110.846 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.768 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.94 -24.48 62.54 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 120.113 -0.635 . . . . 15.0 110.233 178.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.528 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 93.5 mt-10 -76.03 -60.33 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 15.0 109.939 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 12.2 pt-20 -58.15 -48.03 81.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 15.0 110.258 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.627 HD11 ' CD2' ' P' ' 19' ' ' TYR . 96.0 mt -56.02 -60.47 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.186 0.517 . . . . 15.0 110.569 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.11 -28.2 38.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.487 -0.779 . . . . 15.0 112.424 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.64 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.8 OUTLIER -76.24 -45.6 32.13 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.136 0.97 . . . . 15.0 109.142 179.325 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.462 ' HE3' HG23 ' P' ' 15' ' ' ILE . 26.5 mtpp -67.42 -48.1 68.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.593 -1.639 . . . . 15.0 111.832 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.609 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 42.7 m -74.01 -52.63 12.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.762 -0.654 . . . . 15.0 112.261 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.12 20.07 5.72 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.152 -0.779 . . . . 15.0 111.152 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.725 HD11 HG22 ' P' ' 45' ' ' VAL . 9.4 pt -105.15 -165.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.487 -0.561 . . . . 15.0 109.487 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.526 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 9.3 t -120.11 139.51 52.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.55 -0.908 . . . . 15.0 108.55 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.768 HG13 ' HG3' ' P' ' 31' ' ' LYS . 9.0 t -23.82 -75.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.523 ' N ' HG12 ' P' ' 42' ' ' VAL . 49.9 m -44.06 -30.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.542 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 2.6 mm100 -66.83 -40.86 88.12 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.128 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.725 HG22 HD11 ' P' ' 40' ' ' ILE . 87.7 t -54.42 -54.21 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 15.0 110.811 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.09 -27.63 46.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.295 0.569 . . . . 15.0 110.391 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.8 -51.33 16.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.232 -0.894 . . . . 15.0 109.26 178.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' P' ' 52' ' ' LYS . 64.0 t90 -57.83 -58.15 9.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.925 -1.034 . . . . 15.0 111.717 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.66 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.8 m-85 -47.89 -55.35 10.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.493 -0.776 . . . . 15.0 111.993 -178.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -51.42 -38.12 41.44 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.474 -0.87 . . . . 15.0 112.846 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.31 -36.09 78.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.655 0.264 . . . . 15.0 111.701 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.2 mmmt -60.13 -41.28 92.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.791 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 5.2 ptm180 -61.36 -42.36 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.423 0.63 . . . . 15.0 109.436 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.876 HG22 ' HE3' ' P' ' 58' ' ' LYS . 9.1 mm -54.16 -62.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.064 -177.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.641 ' NH2' ' N7 ' ' A' ' 7' ' ' ' DG' . 42.7 mtt85 -53.41 -29.14 33.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.798 0.296 . . . . 15.0 111.798 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.791 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 0.2 OUTLIER -52.24 -62.75 1.44 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.682 0.753 . . . . 15.0 109.82 178.202 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.592 ' HA ' HD11 ' P' ' 60' ' ' ILE . 72.5 mmtt -48.04 -19.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.516 -1.22 . . . . 15.0 114.04 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.876 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.8 OUTLIER -77.26 -39.0 49.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.041 0.448 . . . . 15.0 110.616 -179.312 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' P' ' 62' ' ' LYS . 57.2 m-20 -135.82 41.66 2.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.724 0.638 . . . . 15.0 112.724 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' P' ' 57' ' ' LYS . 43.3 mm -13.91 -71.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 114.769 1.396 . . . . 15.0 114.769 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -25.29 43.25 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 116.063 -0.517 . . . . 15.0 114.192 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.539 ' O ' ' HD3' ' P' ' 62' ' ' LYS . 5.9 tmtm? -70.84 -40.93 72.11 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.378 -0.601 . . . . 15.0 109.378 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.708 ' CD1' ' HA ' ' P' ' 56' ' ' TYR . 94.3 m-85 -73.81 -35.37 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.847 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.538 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 83.9 mt-30 -50.94 -61.54 2.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 15.0 109.931 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.415 ' O ' HG13 ' P' ' 69' ' ' ILE . 89.1 tt0 -50.03 -44.6 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.597 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.418 ' HB3' ' CE2' ' P' ' 70' ' ' TYR . 49.8 mt-10 -56.55 -50.57 71.49 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.608 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.86 -45.88 7.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.462 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -70.51 -30.58 67.39 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.941 0.4 . . . . 15.0 110.751 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.415 HG13 ' O ' ' P' ' 65' ' ' GLU . 93.7 mt -70.85 -62.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.038 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.491 ' CD2' ' CE1' ' P' ' 21' ' ' TYR . 56.8 m-85 -66.5 -13.64 61.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.645 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.75 ' O ' HG23 ' P' ' 74' ' ' THR . . . -75.85 -60.16 2.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 15.0 110.628 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.51 -25.94 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.676 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.467 ' NZ ' ' HB2' ' P' ' 73' ' ' LYS . 0.1 OUTLIER -99.24 36.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.573 -0.285 . . . . 15.0 111.591 -179.643 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.75 HG23 ' O ' ' P' ' 71' ' ' ALA . 40.1 p -89.97 150.43 22.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.777 0.322 . . . . 15.0 110.801 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 68.79 17.36 8.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 15.0 111.386 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -85.48 -35.29 9.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.331 . . . . 15.0 111.056 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 86.7 m 60.71 85.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.275 -0.869 . . . . 15.0 111.134 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.598 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.953 0 C4'-C3'-C2' 104.834 1.634 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.726 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.863 1.603 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.726 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 101.514 -0.847 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.492 ' C6 ' H2'' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C5'-C4'-O4' 108.678 -0.451 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.422 " H2'" ' H72' ' A' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.873 0 C1'-O4'-C4' 107.979 -1.229 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.645 ' O2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 100.547 -1.538 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.687 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C1'-O4'-C4' 110.818 0.799 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.741 " H2'" ' H72' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-C2' 107.581 1.347 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.742 " C2'" ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.509 -0.864 0 C3'-C2'-C1' 99.787 -2.081 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.742 ' H72' " C2'" ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.768 0 C3'-C2'-C1' 104.935 1.596 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.486 " H5'" ' C8 ' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 104.714 1.439 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.442 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C4'-C3'-C2' 104.009 0.809 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.706 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.556 1.324 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.706 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 P-O3'-C3' 120.393 0.578 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.503 ' C2 ' ' C4 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 O5'-C5'-C4' 110.855 0.468 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.503 ' C4 ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 101.614 -0.775 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.667 " H1'" " O5'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C2'-C3'-O3' 113.515 1.08 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.667 " O5'" " H1'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 N19-C1'-C2' 115.874 1.047 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.659 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 C3'-C2'-C1' 101.841 -0.613 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.996 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 99.299 -2.429 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.996 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.517 -1.102 0 C4'-C3'-C2' 100.052 -3.148 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.857 H2'' " O5'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.524 0.59 0 O4'-C1'-C2' 108.123 1.839 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.857 " O5'" H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.806 0 C4'-C3'-C2' 104.596 1.396 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.77 ' O2 ' " H5'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.145 0 C3'-C2'-C1' 99.943 -1.969 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.77 " H5'" ' O2 ' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.521 -0.714 0 O4'-C4'-C3' 103.726 -1.874 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.675 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.411 -0.657 0 C3'-C2'-C1' 105.248 1.82 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.632 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C4'-C3'-C2' 104.03 0.83 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.541 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C3'-C2'-C1' 102.063 -0.455 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.031 0.443 . . . . 15.0 111.451 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . -165.95 29.62 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.556 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.737 ' HA ' ' P ' ' B' ' 24' ' ' ' DT' . 27.6 mmm-85 -62.87 41.49 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.631 1.345 . . . . 15.0 114.631 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.677 ' CZ ' " H5'" ' A' ' 9' ' ' ' DT' . 0.0 OUTLIER -177.89 -173.88 0.41 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.114 -0.366 . . . . 15.0 110.228 178.376 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.859 ' HD3' ' N ' ' P' ' 5' ' ' ARG . 0.0 OUTLIER -179.23 -43.97 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.433 0.901 . . . . 15.0 113.433 176.181 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.859 ' N ' ' HD3' ' P' ' 4' ' ' LYS . 9.8 ptm180 -148.78 142.22 25.28 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.408 0.623 . . . . 15.0 112.248 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 2.0 ptm85 150.73 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.214 -1.357 . . . . 15.0 108.142 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.533 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 8.7 t30 -61.46 -92.58 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.548 -1.206 . . . . 15.0 111.472 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.875 ' CD1' HG21 ' P' ' 40' ' ' ILE . 34.5 m-85 -60.25 109.43 0.98 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.263 0.483 . . . . 15.0 110.73 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.77 171.08 9.75 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.579 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' P' ' 10' ' ' LYS . 10.0 mtmp? -53.99 -24.65 17.56 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.702 0.287 . . . . 15.0 111.604 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 67.4 tp60 -72.35 -47.96 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.112 0.482 . . . . 15.0 110.18 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.618 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -62.1 -44.11 97.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.566 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.475 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 72.2 p -54.24 -56.97 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.752 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 13.7 pt-20 -53.49 -41.63 66.44 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.411 0.624 . . . . 15.0 110.924 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' P' ' 38' ' ' SER . 69.6 mt -67.14 -56.39 13.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.304 -0.862 . . . . 15.0 112.657 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.598 HD22 ' HE1' ' P' ' 49' ' ' PHE . 79.1 mt -60.2 -48.68 80.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.552 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 26.3 p30 -60.32 -53.01 62.69 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.152 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.552 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 65.1 mm-40 -44.06 -39.31 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 15.0 110.909 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.514 ' HD2' HD11 ' P' ' 34' ' ' LEU . 1.9 t80 -80.05 -39.1 30.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.76 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.611 ' CE1' HD21 ' P' ' 23' A LEU . 1.2 t80 -53.33 -51.0 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.808 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 69.6 m-85 -60.83 8.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.41 0.522 . . . . 15.0 112.41 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.507 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.9 t -105.42 -22.27 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 15.0 110.43 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' P' ' 23' C ASN . 65.7 m170 -129.4 35.29 4.26 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.283 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.679 ' O ' ' HD3' ' P' ' 24' ' ' PRO . 9.5 mt -39.97 -63.05 0.64 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.074 0.398 . . . . 15.0 112.074 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 80.5 p -58.39 -9.41 1.56 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.267 0.469 . . . . 15.0 112.267 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.46 ' O ' ' HB3' ' P' ' 23' ' ' HIS . 18.1 p30 -160.51 65.74 2.36 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.943 0.402 . . . . 15.0 109.963 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' P' ' 23' A LEU . 8.1 Cg_exo -72.98 67.76 4.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.0 2.467 . . . . 15.0 112.244 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.638 ' O ' ' O ' ' P' ' 26' ' ' PRO . 11.8 m-85 -124.97 103.04 30.83 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.356 -0.838 . . . . 15.0 109.545 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.638 ' O ' ' O ' ' P' ' 25' ' ' TYR . 6.7 Cg_endo -47.73 -151.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.556 2.17 . . . . 15.0 111.786 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 1.012 ' H ' ' HB3' ' P' ' 30' ' ' ALA . 54.1 m -158.52 169.85 23.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 106.753 -1.573 . . . . 15.0 106.753 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 66.7 mm-40 -47.77 -51.64 21.6 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.311 -0.556 . . . . 15.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -70.14 -33.8 72.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.301 -0.408 . . . . 15.0 110.581 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 1.012 ' HB3' ' H ' ' P' ' 27' ' ' SER . . . -64.0 -56.96 11.27 Favored 'General case' 0 CA--C 1.523 -0.077 0 C-N-CA 121.179 -0.208 . . . . 15.0 110.84 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.649 ' CB ' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -58.12 -24.26 58.07 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.164 -0.614 . . . . 15.0 109.933 178.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' P' ' 28' ' ' GLU . 40.8 mt-10 -75.76 -59.95 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.669 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.5 pt-20 -58.84 -49.68 76.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.13 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.753 HD12 HG11 ' P' ' 45' ' ' VAL . 97.0 mt -55.31 -60.18 3.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.845 0.355 . . . . 15.0 110.43 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.89 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.5 OUTLIER -76.04 -46.92 26.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 122.019 0.914 . . . . 15.0 109.256 179.322 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.481 ' C ' HD13 ' P' ' 15' ' ' ILE . 23.7 mtpp -67.82 -44.46 77.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 113.839 -1.528 . . . . 15.0 111.392 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.618 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 43.2 m -73.94 -52.38 13.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.277 -0.874 . . . . 15.0 112.289 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.65 15.56 7.41 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.256 -0.738 . . . . 15.0 111.256 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.892 HD11 HG22 ' P' ' 45' ' ' VAL . 18.4 pt -105.77 -164.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.519 ' O ' ' N ' ' P' ' 44' ' ' GLN . 8.6 t -118.39 141.26 48.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.603 -0.888 . . . . 15.0 108.603 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.649 HG13 ' CB ' ' P' ' 31' ' ' LYS . 5.0 t -25.23 -76.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.734 0.302 . . . . 15.0 111.608 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.582 ' N ' HG12 ' P' ' 42' ' ' VAL . 51.0 m -42.77 -29.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.715 0.635 . . . . 15.0 112.715 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.586 ' HG3' ' CE1' ' P' ' 8' ' ' PHE . 24.2 tp60 -66.19 -35.71 81.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.303 0.573 . . . . 15.0 109.834 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.892 HG22 HD11 ' P' ' 40' ' ' ILE . 58.8 t -64.51 -58.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.92 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -52.55 -25.08 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.361 0.6 . . . . 15.0 110.142 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . 0.423 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.73 -50.23 21.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.053 177.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.509 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 71.5 t90 -58.46 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.188 -0.915 . . . . 15.0 111.901 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.598 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.8 m-85 -48.0 -60.23 2.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.715 -0.675 . . . . 15.0 112.684 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.539 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -44.57 -46.74 8.86 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.71 -0.757 . . . . 15.0 112.926 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.413 ' HA ' HG12 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -73.38 -30.5 63.33 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.751 0.278 . . . . 15.0 111.751 -179.477 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' P' ' 20' ' ' PHE . 21.7 tptm -59.98 -39.71 86.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.896 0.332 . . . . 15.0 111.896 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.669 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.9 ptm85 -70.04 -39.43 75.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.291 0.567 . . . . 15.0 109.53 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.927 HG22 ' HE2' ' P' ' 58' ' ' LYS . 14.7 mm -54.11 -53.81 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.13 -0.693 . . . . 15.0 109.13 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 38.2 mmt-85 -55.63 -33.73 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.131 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.718 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.1 t80 -52.59 -59.57 4.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.156 0.503 . . . . 15.0 110.44 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.621 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 44.7 mttt -52.21 -19.79 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.995 1.109 . . . . 15.0 113.995 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.927 ' HE2' HG22 ' P' ' 54' ' ' ILE . 3.1 mptp? -70.88 -38.81 73.08 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' P' ' 62' ' ' LYS . 58.4 m-20 -138.01 41.47 2.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.453 0.909 . . . . 15.0 113.453 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.621 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 49.0 mm -13.95 -70.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.402 1.26 . . . . 15.0 114.402 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.74 -25.11 35.26 Favored Glycine 0 C--N 1.335 0.521 0 CA-C-N 115.88 -0.6 . . . . 15.0 114.118 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' P' ' 66' ' ' GLU . 39.9 ttmt -72.93 -39.46 66.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.121 0.486 . . . . 15.0 110.089 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.718 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.0 m-85 -74.88 -31.7 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -56.01 -59.73 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.412 ' O ' HG13 ' P' ' 69' ' ' ILE . 17.8 tp10 -52.92 -49.15 66.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.507 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 65.7 mm-40 -55.46 -54.52 42.79 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.07 -41.68 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.251 -0.886 . . . . 15.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -69.42 -37.36 77.42 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 15.0 110.004 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' P' ' 66' ' ' GLU . 76.5 mt -66.73 -43.3 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.9 -0.591 . . . . 15.0 110.202 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.497 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 14.2 m-85 -73.15 -7.01 49.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.88 -0.6 . . . . 15.0 111.424 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.46 -56.74 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 15.0 111.434 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.53 -23.99 61.87 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.713 0.635 . . . . 15.0 112.713 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' P' ' 70' ' ' TYR . 22.5 ptmt -68.92 -144.88 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.823 -0.351 . . . . 15.0 110.958 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' P' ' 73' ' ' LYS . 13.8 p 76.37 -11.83 1.11 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.989 0.516 . . . . 15.0 111.674 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.68 2.09 35.32 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.67 0.272 . . . . 15.0 111.235 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.521 HG13 ' O ' ' P' ' 76' ' ' VAL . 12.3 p -83.98 117.49 29.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.422 -0.354 . . . . 15.0 111.288 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -146.41 125.89 13.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.264 -0.874 . . . . 15.0 111.103 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.588 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.86 0 C4'-C3'-C2' 104.806 1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.811 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.922 1.656 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.811 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 101.717 -0.702 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.643 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C1'-O4'-C4' 110.35 0.464 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.643 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 103.808 0.608 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.632 " O4'" ' HD2' ' P' ' 5' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C3'-C2'-C1' 100.94 -1.257 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.817 " H1'" ' O ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C3'-C2'-C1' 104.862 1.545 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.802 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 107.048 0.862 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.886 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.516 -2.274 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.886 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.823 0 N19-C1'-C2' 112.007 -1.371 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.556 " H5'" H2'' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-C2' 107.554 1.321 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.526 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 106.819 0.654 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.579 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 107.664 1.422 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.579 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C4'-C3'-C2' 103.926 0.726 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.444 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.656 0 O5'-C5'-C4' 110.915 0.511 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.554 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C1'-O4'-C4' 110.309 0.435 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.554 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.398 1.18 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.747 " H1'" " H5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 101.877 -0.588 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.747 " H5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C3'-C2'-C1' 101.142 -1.113 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.904 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 99.828 -2.051 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.904 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.535 0.97 0 C2'-C3'-O3' 114.357 1.392 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.813 ' OP2' H2'' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 O4'-C1'-C2' 108.14 1.855 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.719 " C2'" ' H71' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 N19-C1'-C2' 116.507 1.442 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 1.052 " H1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.509 -0.84 0 O4'-C1'-N19 109.084 1.605 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.735 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C4'-C3' 103.767 -1.833 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.735 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.438 0.529 0 C3'-C2'-C1' 104.98 1.628 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.63 ' OP2' H2'' ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C4'-C3' 106.216 0.616 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.506 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 C3'-C2'-C1' 102.052 -0.463 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.801 0.334 . . . . 15.0 111.265 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.849 ' HB1' " O5'" ' B' ' 24' ' ' ' DT' . . . -167.02 158.91 12.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.467 . . . . 15.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.535 ' HD2' " H4'" ' B' ' 23' ' ' ' DA' . 66.6 mtt85 -52.0 -85.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 15.0 112.271 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.577 ' HG3' " O3'" ' A' ' 8' ' ' ' DA' . 0.0 OUTLIER -176.37 -179.55 1.07 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.295 0.48 . . . . 15.0 112.295 -178.336 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 1.052 ' HG2' " H1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -177.47 -49.18 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.127 177.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.804 ' CB ' ' HD3' ' P' ' 4' ' ' LYS . 28.9 mtp85 -159.86 -37.23 0.06 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.085 0.402 . . . . 15.0 112.085 -177.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -31.0 -31.22 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.969 0.508 . . . . 15.0 112.204 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.546 ' ND2' ' CE1' ' P' ' 8' ' ' PHE . 65.7 t30 -55.71 -94.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.393 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.625 ' CD2' HG21 ' P' ' 40' ' ' ILE . 5.0 m-85 -69.21 108.51 3.67 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.672 0.669 . . . . 15.0 111.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -67.78 174.26 3.75 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.43 ' HB2' ' HZ1' ' P' ' 10' ' ' LYS . 9.9 mtmp? -58.1 -17.7 19.94 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.553 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 40.1 tt0 -74.1 -48.09 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 15.0 110.316 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.667 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.67 -43.04 94.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.888 -0.597 . . . . 15.0 111.802 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.482 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 54.3 p -55.66 -56.25 22.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.014 -0.539 . . . . 15.0 111.737 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 15.3 pt-20 -54.17 -38.55 65.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.213 0.53 . . . . 15.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.414 HG13 ' HG3' ' P' ' 14' ' ' GLU . 49.4 mt -73.27 -54.56 15.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.837 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.661 HD22 ' HE1' ' P' ' 49' ' ' PHE . 73.4 mt -62.26 -43.92 97.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -178.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 22.5 p30 -60.43 -53.0 62.81 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.244 -0.583 . . . . 15.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 96.8 mt-10 -46.04 -45.33 15.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 15.0 111.061 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.696 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.9 t80 -71.35 -41.08 70.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 15.0 110.038 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.809 ' CE1' HD21 ' P' ' 23' A LEU . 0.5 OUTLIER -52.49 -49.47 64.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.992 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 65.4 m-85 -61.05 14.19 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.107 0.78 . . . . 15.0 113.107 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.494 ' H ' ' C ' ' P' ' 20' ' ' PHE . 80.9 p -115.96 -20.87 9.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.893 0.315 . . . . 15.0 110.903 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' P' ' 24' ' ' PRO . 60.5 m170 -129.47 34.56 4.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.624 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.809 HD21 ' CE1' ' P' ' 20' ' ' PHE . 1.3 mt -39.77 -58.09 1.42 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.893 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 52.3 m -64.61 -12.28 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.582 0.586 . . . . 15.0 112.582 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.512 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 45.2 t30 -165.13 60.94 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.702 0.286 . . . . 15.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.581 ' C ' ' HD1' ' P' ' 25' ' ' TYR . 7.4 Cg_exo -73.36 83.72 1.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.995 2.463 . . . . 15.0 111.959 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.581 ' HD1' ' C ' ' P' ' 24' ' ' PRO . 2.5 m-30 -121.46 92.38 48.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.714 -0.847 . . . . 15.0 108.714 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.838 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 74.2 Cg_endo -63.73 91.12 0.16 Allowed 'Trans proline' 0 CA--C 1.509 -0.736 0 C-N-CA 122.837 2.358 . . . . 15.0 111.217 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.426 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 46.7 t -41.22 168.74 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.229 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 56.1 mt-10 -43.91 -46.66 8.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.678 -0.692 . . . . 15.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.65 -35.55 75.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.386 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.747 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -62.89 -58.28 7.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.835 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.868 ' HG3' HG13 ' P' ' 42' ' ' VAL . 0.0 OUTLIER -60.42 -22.83 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.972 0.415 . . . . 15.0 110.367 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.515 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 37.7 mt-10 -75.82 -59.58 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.14 -0.689 . . . . 15.0 109.14 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.7 pt-20 -58.64 -49.29 78.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.766 -0.457 . . . . 15.0 109.766 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.689 HD12 HG11 ' P' ' 45' ' ' VAL . 96.1 mt -52.98 -60.91 2.69 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 121.117 0.484 . . . . 15.0 109.929 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -54.91 -30.92 59.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.606 -0.725 . . . . 15.0 112.453 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.87 -45.38 35.88 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 122.083 0.945 . . . . 15.0 109.298 179.304 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -67.61 -46.99 70.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 113.77 -1.559 . . . . 15.0 111.712 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.667 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 61.1 m -74.13 -53.03 10.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 15.0 112.627 -178.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.14 20.67 5.13 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.202 -0.759 . . . . 15.0 111.202 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.703 HD11 HG22 ' P' ' 45' ' ' VAL . 9.7 pt -107.01 -165.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.521 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.2 t -119.85 140.02 51.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.505 -0.924 . . . . 15.0 108.505 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.868 HG13 ' HG3' ' P' ' 31' ' ' LYS . 10.0 t -24.36 -75.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.133 0.492 . . . . 15.0 112.202 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.558 ' N ' HG12 ' P' ' 42' ' ' VAL . 49.0 m -43.07 -30.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.317 0.858 . . . . 15.0 113.317 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.563 ' HB3' ' CZ ' ' P' ' 8' ' ' PHE . 2.7 mm100 -66.73 -41.0 88.6 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.4 -0.52 . . . . 15.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.774 HG12 ' HG3' ' P' ' 26' ' ' PRO . 79.3 t -53.73 -54.43 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.637 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -55.33 -28.76 55.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.228 0.537 . . . . 15.0 110.399 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.79 -51.93 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.35 -0.841 . . . . 15.0 109.622 178.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.612 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 54.8 t90 -56.97 -58.02 9.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.343 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.661 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.6 m-85 -47.92 -54.69 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.3 -0.864 . . . . 15.0 111.165 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' P' ' 53' ' ' ARG . . . -50.51 -38.7 35.61 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.55 -0.833 . . . . 15.0 112.909 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.457 ' HA ' HG12 ' P' ' 54' ' ' ILE . 78.4 m-20 -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.811 0.3 . . . . 15.0 111.811 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.579 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 14.3 mmmm -53.01 -40.06 63.57 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.904 0.335 . . . . 15.0 111.904 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.856 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 1.5 ptp180 -66.5 -38.96 88.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 15.0 109.167 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.837 HG22 ' HE3' ' P' ' 58' ' ' LYS . 13.8 mm -55.5 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.474 -0.784 . . . . 15.0 109.049 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' P' ' 58' ' ' LYS . 27.2 mmm180 -49.64 -32.48 13.17 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.088 0.47 . . . . 15.0 110.603 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.856 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 68.9 t80 -53.73 -62.73 1.46 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.365 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.777 ' HA ' HD11 ' P' ' 60' ' ' ILE . 72.4 mmtt -45.67 -21.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.402 0.89 . . . . 15.0 113.402 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.837 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.3 OUTLIER -87.31 -36.1 18.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 15.0 110.865 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.654 ' OD1' ' HB3' ' P' ' 62' ' ' LYS . 15.1 p30 -134.93 30.2 3.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.846 1.054 . . . . 15.0 113.846 -176.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.822 HD12 ' CE2' ' P' ' 56' ' ' TYR . 38.3 mm -13.37 -68.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 114.818 1.414 . . . . 15.0 114.818 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.31 -21.87 9.36 Favored Glycine 0 C--N 1.333 0.385 0 N-CA-C 114.365 0.506 . . . . 15.0 114.365 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.654 ' HB3' ' OD1' ' P' ' 59' ' ' ASN . 1.5 tmtp? -69.59 -39.12 77.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.698 0.285 . . . . 15.0 110.719 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.71 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 95.6 m-85 -77.52 -24.0 50.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.608 HE21 HG22 ' P' ' 60' ' ' ILE . 70.3 mt-30 -62.48 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.722 -0.391 . . . . 15.0 110.281 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.459 ' O ' HG13 ' P' ' 69' ' ' ILE . 43.0 tt0 -51.28 -48.22 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 15.0 110.252 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' P' ' 62' ' ' LYS . 64.1 mm-40 -59.35 -51.86 68.12 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.408 -0.59 . . . . 15.0 109.408 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' P' ' 63' ' ' PHE . . . -43.79 -42.43 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.131 -0.941 . . . . 15.0 110.135 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.46 -38.43 77.75 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 121.111 0.481 . . . . 15.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.459 HG13 ' O ' ' P' ' 65' ' ' GLU . 78.2 mt -63.44 -46.67 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.788 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.47 ' HA ' ' CD ' ' P' ' 73' ' ' LYS . 17.2 m-85 -73.31 -7.65 52.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.572 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.913 ' O ' HG23 ' P' ' 74' ' ' THR . . . -81.83 -58.58 2.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.976 0.417 . . . . 15.0 111.187 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.43 -23.29 57.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 15.0 112.074 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' P' ' 73' ' ' LYS . 0.1 OUTLIER -88.34 52.88 2.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.874 0.369 . . . . 15.0 111.648 -179.405 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.913 HG23 ' O ' ' P' ' 71' ' ' ALA . 52.4 p -89.94 147.33 23.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.47 -0.332 . . . . 15.0 110.727 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 67.86 20.46 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.325 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.484 HG13 ' N ' ' P' ' 77' ' ' THR . 11.0 p -85.23 -45.86 17.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.557 -0.292 . . . . 15.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . 0.484 ' N ' HG13 ' P' ' 76' ' ' VAL . 9.5 t 47.61 37.79 7.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.404 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . 0.436 ' HB2' ' OE1' ' P' ' 14' ' ' GLU . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.2 -0.905 . . . . 15.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.582 " H1'" ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.85 0 C4'-C3'-C2' 104.806 1.606 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.723 " O4'" " H5'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.95 1.682 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.723 " H5'" " O4'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-C1' 101.774 -0.661 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.482 ' C6 ' H2'' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C1'-O4'-C4' 110.329 0.449 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.592 " H2'" ' H72' ' A' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.818 0 C3'-C2'-C1' 101.208 -1.066 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.689 ' O2 ' ' CE ' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.964 0 C3'-C2'-C1' 100.181 -1.799 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 1.069 H2'' ' C8 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.512 -0.573 0 C4'-C3'-C2' 101.792 -1.408 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 1.069 ' C8 ' H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 99.11 -2.564 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.896 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.307 0 C3'-C2'-C1' 99.273 -2.448 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.896 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.584 0 N19-C1'-C2' 111.911 -1.431 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.47 " H5'" " H1'" ' A' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.354 1.14 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.421 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 C1'-O4'-C4' 110.338 0.456 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.364 1.149 . . . . 15.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.41 -0.799 0 C4'-C3'-C2' 104.156 0.956 . . . . 15.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.457 ' N3 ' " O4'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 O5'-C5'-C4' 110.919 0.514 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.681 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-C1' 101.8 -0.643 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.681 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.52 -0.792 0 O4'-C4'-C3' 104.08 -1.52 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.798 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C2'-C3'-O3' 113.214 0.968 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.798 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 C3'-C2'-C1' 101.532 -0.834 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.999 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 98.911 -2.707 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.999 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -0.989 0 C4'-C3'-C2' 100.652 -2.548 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.525 " C2'" ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.954 0 C3'-C2'-C1' 104.763 1.473 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.762 " C2'" ' H72' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.818 0 O4'-C1'-N19 108.579 0.974 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.762 ' H72' " C2'" ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 C3'-C2'-C1' 100.698 -1.43 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.715 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-N19 107.001 -0.998 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.715 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.439 0.597 0 C3'-C2'-C1' 105.211 1.794 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.657 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C4'-C3' 106.393 0.793 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.503 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C3'-C2'-C1' 102.018 -0.487 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . 0.853 ' O ' " H4'" ' A' ' 9' ' ' ' DT' . 4.7 mmt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.717 0.294 . . . . 15.0 111.032 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.541 ' HA ' ' NH2' ' P' ' 3' ' ' ARG . . . -70.21 -34.11 72.51 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.13 0.491 . . . . 15.0 111.213 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.634 ' HA ' " O3'" ' B' ' 23' ' ' ' DA' . 11.5 mmt85 -51.31 85.37 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.406 -0.816 . . . . 15.0 111.579 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.561 ' HD2' ' O ' ' P' ' 3' ' ' ARG . 0.1 OUTLIER -156.75 156.17 32.87 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.414 -179.564 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.821 ' O ' " H5'" ' A' ' 8' ' ' ' DA' . 9.6 tptm -177.25 -73.47 0.01 OUTLIER 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 112.329 0.492 . . . . 15.0 112.329 177.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.778 ' HB3' ' HE2' ' P' ' 4' ' ' LYS . 12.5 ptm180 -148.88 159.3 44.3 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 113.039 0.755 . . . . 15.0 113.039 -177.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 6.8 ptm180 142.96 -25.19 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 113.701 -1.591 . . . . 15.0 108.211 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' P' ' 8' ' ' PHE . 9.7 t30 -64.29 -93.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.2 -1.364 . . . . 15.0 112.616 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.98 ' CD1' HG21 ' P' ' 40' ' ' ILE . 49.2 m-85 -61.04 109.04 0.97 Allowed 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 121.995 -0.441 . . . . 15.0 111.139 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -69.0 175.46 3.71 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.329 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' P' ' 11' ' ' GLN . 0.0 OUTLIER -59.47 -15.11 15.45 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.201 0.445 . . . . 15.0 112.201 -179.06 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.574 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.7 tp-100 -78.63 -47.36 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.252 0.549 . . . . 15.0 110.073 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.631 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.12 -42.77 96.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.566 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 61.0 p -54.98 -56.08 23.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.889 -0.596 . . . . 15.0 111.655 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.0 pt-20 -54.46 -38.83 66.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.22 0.534 . . . . 15.0 110.992 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' P' ' 38' ' ' SER . 67.2 mt -71.61 -54.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.459 -0.792 . . . . 15.0 112.534 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.65 HD22 ' HE1' ' P' ' 49' ' ' PHE . 76.6 mt -61.36 -46.4 90.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.237 0.458 . . . . 15.0 112.237 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' P' ' 18' ' ' GLU . 25.4 p30 -61.28 -52.4 64.89 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.465 -0.494 . . . . 15.0 111.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' P' ' 17' ' ' ASN . 95.2 mt-10 -47.95 -39.16 18.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 15.0 111.032 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.453 ' HD2' HD11 ' P' ' 34' ' ' LEU . 14.9 t80 -79.57 -38.43 34.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.595 ' CZ ' ' CD2' ' P' ' 23' A LEU . 21.4 t80 -51.18 -49.53 60.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.491 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' P' ' 17' ' ' ASN . 61.5 m-85 -61.48 9.12 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.3 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.505 ' H ' ' C ' ' P' ' 20' ' ' PHE . 41.8 t -111.93 -24.74 9.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 15.0 110.512 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' P' ' 24' ' ' PRO . 54.1 m170 -123.06 35.53 4.85 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.814 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.595 ' CD2' ' CZ ' ' P' ' 20' ' ' PHE . 5.3 mt -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.825 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.7 t -59.69 -18.15 40.04 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.124 0.416 . . . . 15.0 112.124 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.482 ' HB2' ' CE2' ' P' ' 25' ' ' TYR . 17.7 p30 -155.59 66.74 4.73 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 15.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' P' ' 23' A LEU . 17.4 Cg_exo -68.18 87.87 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.887 2.391 . . . . 15.0 112.089 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.495 ' CE1' " H3'" ' B' ' 17' ' ' ' DG' . 15.8 m-85 -132.99 86.26 43.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.795 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.795 ' C ' ' HB3' ' P' ' 30' ' ' ALA . 74.5 Cg_endo -64.05 86.14 0.15 Allowed 'Trans proline' 0 CA--C 1.51 -0.684 0 C-N-CA 122.388 2.059 . . . . 15.0 110.35 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.471 ' N ' ' HB3' ' P' ' 30' ' ' ALA . 44.1 t -39.88 168.91 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.464 -0.789 . . . . 15.0 111.368 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' P' ' 32' ' ' GLU . 50.5 mt-10 -44.14 -46.89 8.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.302 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -70.43 -32.85 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.721 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.795 ' HB3' ' C ' ' P' ' 26' ' ' PRO . . . -67.26 -58.24 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 15.0 110.545 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.869 ' HG3' HG13 ' P' ' 42' ' ' VAL . 3.2 ptmt -59.39 -23.97 63.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.551 . . . . 15.0 110.043 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.513 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 80.4 mt-10 -75.51 -59.36 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 24.8 pt-20 -58.17 -48.85 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.188 -0.671 . . . . 15.0 109.188 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.695 HD12 HG11 ' P' ' 45' ' ' VAL . 96.0 mt -53.07 -61.75 2.1 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 15.0 109.98 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.444 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -53.75 -31.6 49.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 15.0 112.078 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.7 OUTLIER -75.96 -44.57 39.23 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.967 0.889 . . . . 15.0 109.254 179.483 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.427 ' C ' HD13 ' P' ' 15' ' ' ILE . 25.7 mtpp -68.03 -46.61 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 113.89 -1.505 . . . . 15.0 111.449 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.631 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 36.4 m -73.65 -52.47 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.375 -0.83 . . . . 15.0 112.222 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.75 21.93 5.21 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 110.933 -0.867 . . . . 15.0 110.933 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.98 HG21 ' CD1' ' P' ' 8' ' ' PHE . 14.6 pt -109.76 -162.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.654 HG22 ' OE1' ' P' ' 44' ' ' GLN . 11.1 t -120.92 143.37 49.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.556 -0.905 . . . . 15.0 108.556 177.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.869 HG13 ' HG3' ' P' ' 31' ' ' LYS . 24.0 t -26.0 -75.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.454 0.471 . . . . 15.0 111.643 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.448 ' N ' HG12 ' P' ' 42' ' ' VAL . 53.0 m -42.6 -31.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.415 0.894 . . . . 15.0 113.415 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.654 ' OE1' HG22 ' P' ' 41' ' ' THR . 85.8 mt-30 -67.04 -35.91 80.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.422 -0.511 . . . . 15.0 110.238 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.794 HG22 HD11 ' P' ' 40' ' ' ILE . 59.1 t -61.93 -58.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.458 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -54.37 -26.56 30.85 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.337 0.589 . . . . 15.0 110.028 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' P' ' 44' ' ' GLN . 0.8 OUTLIER -73.85 -51.03 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.207 -0.906 . . . . 15.0 109.151 178.225 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.48 ' HB2' ' CZ ' ' P' ' 8' ' ' PHE . 70.9 t90 -57.29 -59.92 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.849 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.65 ' HE1' HD22 ' P' ' 16' ' ' LEU . 7.7 m-85 -48.44 -55.66 10.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.536 -0.756 . . . . 15.0 110.618 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.515 ' O ' HG12 ' P' ' 54' ' ' ILE . . . -33.6 -65.65 0.29 Allowed Glycine 0 CA--C 1.519 0.322 0 CA-C-N 116.09 -0.504 . . . . 15.0 113.229 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.402 ' HA ' HG12 ' P' ' 54' ' ' ILE . 5.7 m120 -71.81 -18.48 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.882 0.327 . . . . 15.0 111.882 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.544 ' HG3' ' CE2' ' P' ' 20' ' ' PHE . 54.6 tptt -58.76 -41.91 87.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.635 0.255 . . . . 15.0 111.191 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.595 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.3 ptt-85 -76.1 -40.42 53.04 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.998 -0.742 . . . . 15.0 108.998 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.911 HG22 ' HE3' ' P' ' 58' ' ' LYS . 17.9 mm -54.72 -53.28 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 N-CA-C 107.323 -1.362 . . . . 15.0 107.323 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.431 ' CA ' ' HD3' ' P' ' 58' ' ' LYS . 0.0 OUTLIER -51.6 -44.13 62.73 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.514 -0.766 . . . . 15.0 109.745 177.651 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.608 ' HA ' ' CE1' ' P' ' 63' ' ' PHE . 1.2 t80 -48.91 -57.26 6.72 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.992 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 77.8 mttt -52.29 -18.0 1.38 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.198 1.185 . . . . 15.0 114.198 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.911 ' HE3' HG22 ' P' ' 54' ' ' ILE . 0.9 OUTLIER -69.12 -36.89 78.0 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.888 -0.782 . . . . 15.0 108.888 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' P' ' 62' ' ' LYS . 38.0 m-80 -140.54 46.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.397 -0.819 . . . . 15.0 113.176 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.606 HG22 HE21 ' P' ' 64' ' ' GLN . 48.4 mm -13.79 -71.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 115.079 1.511 . . . . 15.0 115.079 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . 0.403 ' HA2' ' NE2' ' P' ' 64' ' ' GLN . . . -57.76 -26.19 57.18 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 116.048 -0.524 . . . . 15.0 114.236 -177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' P' ' 59' ' ' ASN . 1.2 tmtp? -66.14 -39.76 90.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.951 0.405 . . . . 15.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.608 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 31.5 m-85 -79.66 -21.46 44.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.293 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.606 HE21 HG22 ' P' ' 60' ' ' ILE . 72.0 mt-30 -60.81 -58.8 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.311 -0.626 . . . . 15.0 109.311 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.431 ' O ' HG13 ' P' ' 69' ' ' ILE . 40.9 tp10 -52.42 -49.01 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 15.0 109.811 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' P' ' 69' ' ' ILE . 65.5 mm-40 -57.4 -51.91 67.51 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.049 -0.723 . . . . 15.0 109.049 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' P' ' 64' ' ' GLN . . . -43.34 -41.79 4.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.888 -1.051 . . . . 15.0 110.491 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -72.51 -35.63 68.15 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.943 0.402 . . . . 15.0 110.412 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.431 HG13 ' O ' ' P' ' 65' ' ' GLU . 75.7 mt -64.48 -55.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.565 . . . . 15.0 110.975 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.454 ' HA ' ' HG2' ' P' ' 73' ' ' LYS . 32.6 m-85 -66.61 -24.38 66.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 15.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -65.67 -59.45 3.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.278 -0.419 . . . . 15.0 111.188 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.47 -22.46 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 15.0 112.213 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.578 ' O ' HG22 ' P' ' 74' ' ' THR . 19.5 ptpt -94.65 164.5 12.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.585 0.231 . . . . 15.0 111.212 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.578 HG22 ' O ' ' P' ' 73' ' ' LYS . 8.9 t 52.13 125.45 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.7 -0.682 . . . . 15.0 112.082 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 70.58 9.89 7.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.679 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . 0.48 HG13 ' N ' ' P' ' 77' ' ' THR . 11.6 p -86.1 -45.62 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 15.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . 0.576 HG23 ' O ' ' P' ' 77' ' ' THR . 8.7 t -94.75 84.44 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.313 -0.851 . . . . 15.0 111.109 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . 0.917 H2'' " O5'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.789 0 C4'-C3'-C2' 104.611 1.411 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.917 " O5'" H2'' ' A' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 105.279 1.842 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.651 ' N2 ' ' N3 ' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.407 -0.964 0 C1'-O4'-C4' 108.046 -1.182 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.686 ' C2 ' ' N7 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 C1'-O4'-C4' 110.318 0.442 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.686 ' N7 ' ' C2 ' ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C3'-C2'-C1' 101.712 -0.706 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ' DT' . . . . . 0.651 ' O2 ' ' NZ ' ' P' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C3'-C2'-C1' 100.694 -1.433 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.783 H2'' " O5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 C3'-C2'-C1' 105.099 1.714 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.783 " O5'" H2'' ' A' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-C2' 107.147 0.952 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.86 ' C6 ' ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C3'-C2'-C1' 99.042 -2.613 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.86 ' H72' ' C6 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.748 0 N19-C1'-C2' 112.027 -1.358 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.514 H2'' ' OP2' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 104.642 1.442 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.514 ' OP2' H2'' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 106.878 0.707 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.627 H2'' ' OP2' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 107.66 1.418 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.627 ' OP2' H2'' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C5'-C4'-O4' 108.612 -0.493 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.442 ' N3 ' " O4'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O5'-C5'-C4' 110.99 0.564 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.461 " H1'" " H5'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 101.859 -0.601 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.461 " H5'" " H1'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.219 1.018 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . 0.747 " H1'" " O5'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C2'-C3'-O3' 112.816 0.821 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.747 " O5'" " H1'" ' B' ' 18' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-C1' 101.718 -0.701 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . 0.982 " H2'" ' H72' ' B' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C3'-C2'-C1' 99.312 -2.42 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.982 ' H72' " H2'" ' B' ' 20' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.517 -1.054 0 C4'-C3'-C2' 100.566 -2.634 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.8 H2'' ' C8 ' ' B' ' 23' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.407 -0.982 0 C3'-C2'-C1' 105.102 1.716 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . 0.8 ' C8 ' H2'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 100.403 -1.64 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ' DT' . . . . . 0.814 " C1'" ' HG2' ' P' ' 4' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.923 0 C3'-C2'-C1' 100.165 -1.811 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ' DG' . . . . . 0.675 " H1'" " O5'" ' B' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C4'-C3' 104.372 -1.228 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ' DC' . . . . . 0.675 " O5'" " H1'" ' B' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C3'-C2'-C1' 105.367 1.905 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.651 ' N3 ' ' N2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C4'-C3'-C2' 104.05 0.85 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . 0.517 ' OP2' H2'' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 101.924 -0.554 . . . . 15.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.945 0.402 . . . . 15.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.567 ' CB ' " H3'" ' B' ' 24' ' ' ' DT' . . . -73.66 -174.27 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 15.0 111.494 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . 0.506 ' HG3' ' H ' ' P' ' 3' ' ' ARG . 18.8 ptp180 -55.11 -68.23 0.21 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.96 -179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.552 ' HB3' " H5'" ' A' ' 9' ' ' ' DT' . 0.2 OUTLIER -177.74 145.48 0.4 Allowed 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 122.088 -0.382 . . . . 15.0 111.481 179.722 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 4' ' ' LYS . . . . . 0.814 ' HG2' " C1'" ' B' ' 24' ' ' ' DT' . 0.0 OUTLIER -178.54 -65.69 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 119.894 -0.722 . . . . 15.0 111.952 177.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.629 ' HG2' ' HD2' ' P' ' 4' ' ' LYS . 12.2 ptm180 -168.7 162.19 11.61 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.658 -0.417 . . . . 15.0 111.681 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' P' ' 5' ' ' ARG . 21.5 ptt-85 136.21 -28.77 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.559 -1.2 . . . . 15.0 108.375 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 7' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -56.6 -84.51 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.525 -1.216 . . . . 15.0 111.986 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.734 ' CD2' HG21 ' P' ' 40' ' ' ILE . 0.4 OUTLIER -69.75 107.68 3.59 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.867 0.365 . . . . 15.0 111.982 -178.509 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -71.12 -178.73 2.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.025 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -59.5 -16.01 21.61 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.363 0.505 . . . . 15.0 112.363 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' P' ' 14' ' ' GLU . 3.5 tp-100 -78.56 -47.7 16.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.263 0.554 . . . . 15.0 110.403 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 12' ' ' ALA . . . . . 0.636 ' CB ' ' HB3' ' P' ' 38' ' ' SER . . . -64.9 -39.7 93.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.676 -0.693 . . . . 15.0 111.73 -179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . 0.486 ' O ' ' ND2' ' P' ' 17' ' ' ASN . 69.9 p -59.11 -54.39 47.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.11 -0.495 . . . . 15.0 111.67 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 14' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' P' ' 11' ' ' GLN . 10.2 pt-20 -54.7 -37.63 66.05 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.25 0.547 . . . . 15.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 15' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' P' ' 38' ' ' SER . 68.2 mt -72.92 -55.46 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.948 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.625 HD22 ' HE1' ' P' ' 49' ' ' PHE . 71.5 mt -61.63 -43.08 99.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.849 0.685 . . . . 15.0 112.849 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 17' ' ' ASN . . . . . 0.502 HD21 ' HA ' ' P' ' 14' ' ' GLU . 23.2 p30 -60.83 -52.25 65.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.259 -0.577 . . . . 15.0 111.029 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.763 ' HB3' HG22 ' P' ' 74' ' ' THR . 51.6 mt-10 -47.11 -36.29 8.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.508 -0.315 . . . . 15.0 111.413 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 19' ' ' TYR . . . . . 0.667 ' HE2' ' HB1' ' P' ' 30' ' ' ALA . 1.7 t80 -80.75 -44.53 18.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 15.0 110.796 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.568 ' C ' ' H ' ' P' ' 22' ' ' SER . 3.4 t80 -49.41 -45.67 46.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.238 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . 0.521 ' CE2' ' CD2' ' P' ' 70' ' ' TYR . 65.4 m-85 -59.67 12.32 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.534 0.568 . . . . 15.0 112.534 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 22' ' ' SER . . . . . 0.568 ' H ' ' C ' ' P' ' 20' ' ' PHE . 51.1 m -116.74 -21.05 9.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.34 . . . . 15.0 110.552 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 23' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' P' ' 24' ' ' PRO . 52.8 m170 -122.88 34.39 5.15 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.168 -0.469 . . . . 15.0 110.703 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 23' A LEU . . . . . 0.546 ' CD2' ' CE1' ' P' ' 20' ' ' PHE . 2.1 mt -45.19 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.883 0.697 . . . . 15.0 112.883 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 23' B SER . . . . . . . . . . . . . 47.5 t -74.69 14.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.525 0.565 . . . . 15.0 112.525 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 23' C ASN . . . . . 0.609 ' N ' ' HD3' ' P' ' 24' ' ' PRO . 20.1 p30 -173.5 56.07 0.19 Allowed Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 110.049 -0.352 . . . . 15.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 24' ' ' PRO . . . . . 0.609 ' HD3' ' N ' ' P' ' 23' C ASN . 7.0 Cg_exo -74.74 100.37 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.871 2.38 . . . . 15.0 115.094 -177.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' P' ' 23' C ASN . 0.6 OUTLIER -154.75 98.89 2.43 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.761 -1.109 . . . . 15.0 109.509 176.131 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . 0.82 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 78.2 Cg_endo -65.88 105.08 0.76 Allowed 'Trans proline' 0 CA--C 1.514 -0.512 0 C-N-CA 123.109 2.54 . . . . 15.0 112.135 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 27' ' ' SER . . . . . 0.457 ' O ' ' HD2' ' P' ' 31' ' ' LYS . 56.1 m -42.17 162.51 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.548 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 28' ' ' GLU . . . . . 0.68 ' HA ' ' HD3' ' P' ' 31' ' ' LYS . 95.1 mt-10 -43.36 -44.42 5.61 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.114 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.99 -32.27 69.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.927 0.394 . . . . 15.0 110.344 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.667 ' HB1' ' HE2' ' P' ' 19' ' ' TYR . . . -62.51 -57.14 12.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.99 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 31' ' ' LYS . . . . . 0.82 ' HD2' ' O ' ' P' ' 26' ' ' PRO . 0.0 OUTLIER -58.36 -23.13 55.93 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 120.52 -0.472 . . . . 15.0 110.313 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . 0.508 ' O ' ' HD3' ' P' ' 36' ' ' LYS . 44.4 mt-10 -75.56 -59.18 2.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.242 -0.651 . . . . 15.0 109.242 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' P' ' 30' ' ' ALA . 16.5 pt-20 -58.48 -50.2 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.933 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.784 HD12 HG11 ' P' ' 45' ' ' VAL . 96.5 mt -53.31 -62.17 1.83 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.98 0.419 . . . . 15.0 110.284 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' P' ' 40' ' ' ILE . . . -52.66 -31.78 38.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 15.0 112.029 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 36' ' ' LYS . . . . . 0.512 ' HD3' ' N ' ' P' ' 36' ' ' LYS . 0.6 OUTLIER -76.01 -43.89 42.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.946 0.879 . . . . 15.0 109.408 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 37' ' ' LYS . . . . . 0.419 ' HE3' HG23 ' P' ' 15' ' ' ILE . 24.7 mtpp -68.41 -48.38 64.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.039 -1.437 . . . . 15.0 111.619 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.636 ' HB3' ' CB ' ' P' ' 12' ' ' ALA . 38.1 m -73.59 -52.17 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.44 -0.8 . . . . 15.0 112.148 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.19 23.37 4.89 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.134 -0.786 . . . . 15.0 111.134 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 40' ' ' ILE . . . . . 0.78 HD11 HG22 ' P' ' 45' ' ' VAL . 17.2 pt -109.26 -162.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.536 -0.542 . . . . 15.0 109.536 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . 0.539 ' CG2' ' HG2' ' P' ' 44' ' ' GLN . 10.0 t -120.47 142.01 49.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.326 -0.99 . . . . 15.0 108.326 177.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 42' ' ' VAL . . . . . 0.813 HG13 ' HG3' ' P' ' 31' ' ' LYS . 7.2 t -25.49 -75.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.842 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 43' ' ' SER . . . . . 0.552 ' N ' HG12 ' P' ' 42' ' ' VAL . 50.3 m -42.43 -31.26 0.4 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.372 0.879 . . . . 15.0 113.372 -178.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . 0.539 ' HG2' ' CG2' ' P' ' 41' ' ' THR . 2.8 mm100 -66.51 -36.18 82.08 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.457 -0.497 . . . . 15.0 110.288 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . 0.784 HG11 HD12 ' P' ' 34' ' ' LEU . 59.7 t -60.77 -57.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.574 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -54.7 -28.87 50.97 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.297 0.57 . . . . 15.0 110.277 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.66 -51.74 15.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.11 178.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . 0.534 ' CE3' ' HB3' ' P' ' 16' ' ' LEU . 57.4 t90 -56.99 -58.8 6.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.956 -1.02 . . . . 15.0 110.603 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . 0.625 ' HE1' HD22 ' P' ' 16' ' ' LEU . 6.7 m-85 -48.4 -54.96 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.61 -0.723 . . . . 15.0 110.588 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 50' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' P' ' 53' ' ' ARG . . . -33.41 -62.43 0.39 Allowed Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.976 -0.557 . . . . 15.0 113.952 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' P' ' 48' ' ' TRP . 9.3 p-10 -67.73 -17.17 64.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.83 0.678 . . . . 15.0 112.83 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 52' ' ' LYS . . . . . 0.514 ' HG3' ' CZ3' ' P' ' 48' ' ' TRP . 30.6 mmmt -60.16 -51.23 70.49 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.217 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.738 ' O ' ' HB3' ' P' ' 56' ' ' TYR . 14.5 ptt-85 -65.74 -41.87 91.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.606 -0.516 . . . . 15.0 109.606 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 54' ' ' ILE . . . . . 0.829 HG22 ' HE2' ' P' ' 58' ' ' LYS . 27.1 mm -54.62 -55.86 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.205 -0.665 . . . . 15.0 109.205 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.49 ' NH2' ' N7 ' ' A' ' 7' ' ' ' DG' . 14.0 mmt85 -55.63 -33.15 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.682 0.277 . . . . 15.0 110.963 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 56' ' ' TYR . . . . . 0.738 ' HB3' ' O ' ' P' ' 53' ' ' ARG . 5.2 t80 -49.69 -57.78 6.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.322 0.582 . . . . 15.0 110.149 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . 0.607 ' HA ' ' CD1' ' P' ' 60' ' ' ILE . 34.2 mttt -52.67 -21.58 4.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.829 ' HE2' HG22 ' P' ' 54' ' ' ILE . 2.2 mptp? -72.31 -39.82 67.94 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.384 -0.599 . . . . 15.0 109.384 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' P' ' 62' ' ' LYS . 50.6 m-20 -136.43 43.6 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.481 -0.781 . . . . 15.0 113.063 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 60' ' ' ILE . . . . . 0.607 ' CD1' ' HA ' ' P' ' 57' ' ' LYS . 35.3 mm -13.51 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 115.093 1.516 . . . . 15.0 115.093 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.88 -24.47 54.03 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-N 115.867 -0.606 . . . . 15.0 114.465 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 62' ' ' LYS . . . . . 0.449 ' O ' ' HD3' ' P' ' 62' ' ' LYS . 7.5 tmtm? -65.72 -40.38 92.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.151 0.501 . . . . 15.0 109.91 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 63' ' ' PHE . . . . . 0.708 ' CE1' ' HA ' ' P' ' 56' ' ' TYR . 31.0 m-85 -79.94 -24.42 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.798 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 64' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' P' ' 67' ' ' ALA . 81.9 mt-30 -55.07 -65.19 0.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.38 -0.6 . . . . 15.0 109.38 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . 0.441 ' O ' HG13 ' P' ' 69' ' ' ILE . 41.6 tp10 -52.25 -45.77 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.627 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 66' ' ' GLU . . . . . 0.666 ' OE1' HD12 ' P' ' 69' ' ' ILE . 5.4 mm-40 -55.7 -53.81 52.01 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 67' ' ' ALA . . . . . 0.682 ' O ' ' HB2' ' P' ' 71' ' ' ALA . . . -43.89 -43.57 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.704 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 68' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.96 -33.79 66.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.028 0.442 . . . . 15.0 110.422 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 69' ' ' ILE . . . . . 0.666 HD12 ' OE1' ' P' ' 66' ' ' GLU . 96.9 mt -64.95 -62.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.761 -0.654 . . . . 15.0 110.923 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 70' ' ' TYR . . . . . 0.713 ' O ' HG23 ' P' ' 74' ' ' THR . 65.4 m-85 -66.4 -26.64 67.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.419 -0.81 . . . . 15.0 111.514 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 71' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' P' ' 67' ' ' ALA . . . -56.92 -56.87 16.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 15.0 111.195 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.1 -48.54 67.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 15.0 112.117 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 73' ' ' LYS . . . . . 0.465 ' O ' ' OG1' ' P' ' 74' ' ' THR . 0.1 OUTLIER -68.91 -101.87 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.712 0.264 . . . . 15.0 111.712 -179.444 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 74' ' ' THR . . . . . 0.763 HG22 ' HB3' ' P' ' 18' ' ' GLU . 71.9 p 59.45 151.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.94 0.4 . . . . 15.0 110.937 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 75' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' P' ' 74' ' ' THR . . . 69.51 11.05 7.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 15.0 111.533 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 76' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.13 140.22 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.859 0.361 . . . . 15.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -93.47 -38.57 11.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.773 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.199 -0.905 . . . . 15.0 111.126 179.999 . . . . . . . . 0 0 . 1 stop_ save_